(1S,3R)-3-(3,4-dichlorophenyl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride

C17H18Cl3NO — CID 45264957

IUPAC(1S,3R)-3-(3,4-dichlorophenyl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
SMILESCN[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccc(OC)cc21.Cl
InChIInChI=1S/C17H17Cl2NO.ClH/c1-20-17-9-13(10-3-6-15(18)16(19)7-10)12-5-4-11(21-2)8-14(12)17;/h3-8,13,17,20H,9H2,1-2H3;1H/t13-,17+;/m1./s1
InChIKeyYSBSWMCGYNESAQ-YNDBEVAQSA-N
MW358.70 g/mol
LogP5.22
Rot. Bonds3

About (1S,3R)-3-(3,4-dichlorophenyl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride

(1S,3R)-3-(3,4-dichlorophenyl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride (PubChem CID 45264957) has the molecular formula C17H18Cl3NO and a molecular weight of 358.70 g/mol. Its IUPAC name is (1S,3R)-3-(3,4-dichlorophenyl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S,3R)-3-(3,4-dichlorophenyl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
PubChem CID45264957
Molecular FormulaC17H18Cl3NO
Molecular Weight358.70 g/mol
Exact Mass357.05
IUPAC Name(1S,3R)-3-(3,4-dichlorophenyl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
SMILESCN[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccc(OC)cc21.Cl
InChIInChI=1S/C17H17Cl2NO.ClH/c1-20-17-9-13(10-3-6-15(18)16(19)7-10)12-5-4-11(21-2)8-14(12)17;/h3-8,13,17,20H,9H2,1-2H3;1H/t13-,17+;/m1./s1
InChIKeyYSBSWMCGYNESAQ-YNDBEVAQSA-N
XLogP5.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.70
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,3S)-3-chloro-1-(3,4-dichlorophenyl)-5-methoxy-2,3-dihydro-1H-indene
CID 131864192
4-(3,4-dichlorophenyl)-7-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 66808975
3-(4-chloro-1H-indol-3-yl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 24887351
(1S,3S)-1-(3,4-dichlorophenyl)-3-ethyl-6-methoxy-1,2,3,4-tetrahydronaphthalene
CID 159474577
(1S,3S)-1-(3,4-dichlorophenyl)-3-ethyl-7-methoxy-1,2,3,4-tetrahydronaphthalene
CID 159852453
4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 13408687
5-(3,4-dichlorophenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalene-2-thiol
CID 142014615
(1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;methanol;hydrochloride
CID 69478008
(1S)-1-(3,4-dichlorophenyl)-5-methoxy-1H-indene
CID 129363851
[(5S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methanol
CID 59274170
(1R,4R)-4-(3,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 69189375
(1R,3R)-1-(3,4-dichlorophenyl)-3-ethyl-7-methoxy-1,2,3,4-tetrahydronaphthalene;(1S,3R)-1-(3,4-dichlorophenyl)-3-ethyl-7-methoxy-1,2,3,4-tetrahydronaphthalene;(1R,3S)-1-(3,4-dichlorophenyl)-3-ethyl-7-methoxy-1,2,3,4-tetrahydronaphthalene;(1S,3S)-1-(3,4-dichlorophenyl)-3-ethyl-7-methoxy-1,2,3,4-tetrahydronaphthalene;(1R,3R)-1-(3,4-dichlorophenyl)-3-ethyl-8-methoxy-1,2,3,4-tetrahydronaphthalene;(1S,3S)-1-(3,4-dichlorophenyl)-3-ethyl-8-methoxy-1,2,3,4-tetrahydronaphthalene
CID 159852451

Frequently Asked Questions

What is the IUPAC name of (1S,3R)-3-(3,4-dichlorophenyl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The IUPAC name of (1S,3R)-3-(3,4-dichlorophenyl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride (CID 45264957) is (1S,3R)-3-(3,4-dichlorophenyl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride.
What is the SMILES notation for (1S,3R)-3-(3,4-dichlorophenyl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The canonical SMILES for (1S,3R)-3-(3,4-dichlorophenyl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride is CN[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccc(OC)cc21.Cl.
What is the InChIKey of (1S,3R)-3-(3,4-dichlorophenyl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The InChIKey is YSBSWMCGYNESAQ-YNDBEVAQSA-N. The full InChI is InChI=1S/C17H17Cl2NO.ClH/c1-20-17-9-13(10-3-6-15(18)16(19)7-10)12-5-4-11(21-2)8-14(12)17;/h3-8,13,17,20H,9H2,1-2H3;1H/t13-,17+;/m1./s1.
What are the key properties of (1S,3R)-3-(3,4-dichlorophenyl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride?
(1S,3R)-3-(3,4-dichlorophenyl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride has a molecular weight of 358.70 g/mol, XLogP of 5.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R)-3-(3,4-dichlorophenyl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride is sourced from PubChem (CID 45264957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).