4-(3,4-dichlorophenyl)-6-(methoxymethyl)-1,2,3,4-tetrahydronaphthalen-2-amine

C18H19Cl2NO — CID 91076411

IUPAC4-(3,4-dichlorophenyl)-6-(methoxymethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOCc1ccc2c(c1)C(c1ccc(Cl)c(Cl)c1)CC(N)C2
InChIInChI=1S/C18H19Cl2NO/c1-22-10-11-2-3-12-7-14(21)9-16(15(12)6-11)13-4-5-17(19)18(20)8-13/h2-6,8,14,16H,7,9-10,21H2,1H3
InChIKeyXRIORGNGRFXXEZ-UHFFFAOYSA-N
MW336.26 g/mol
LogP4.55
Rot. Bonds3

About 4-(3,4-dichlorophenyl)-6-(methoxymethyl)-1,2,3,4-tetrahydronaphthalen-2-amine

4-(3,4-dichlorophenyl)-6-(methoxymethyl)-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 91076411) has the molecular formula C18H19Cl2NO and a molecular weight of 336.26 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-6-(methoxymethyl)-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-6-(methoxymethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID91076411
Molecular FormulaC18H19Cl2NO
Molecular Weight336.26 g/mol
Exact Mass335.08
IUPAC Name4-(3,4-dichlorophenyl)-6-(methoxymethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOCc1ccc2c(c1)C(c1ccc(Cl)c(Cl)c1)CC(N)C2
InChIInChI=1S/C18H19Cl2NO/c1-22-10-11-2-3-12-7-14(21)9-16(15(12)6-11)13-4-5-17(19)18(20)8-13/h2-6,8,14,16H,7,9-10,21H2,1H3
InChIKeyXRIORGNGRFXXEZ-UHFFFAOYSA-N
XLogP4.55
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.26
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,3S)-1-(3,4-dichlorophenyl)-3-ethyl-7-methoxy-1,2,3,4-tetrahydronaphthalene
CID 159852453
(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
(1S,3S)-1-(3,4-dichlorophenyl)-3-ethyl-6-methoxy-1,2,3,4-tetrahydronaphthalene
CID 159474577
6-(methoxymethyl)-2,3-dihydro-1H-inden-1-amine
CID 57039214
1-bromo-6-(methoxymethyl)-2-methyl-2,3-dihydro-1H-indene
CID 79726450
(2R,4S)-6,7-dimethoxy-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10446565
2-chloro-5-(methoxymethyl)aniline
CID 43349916
4-(3,4-dichlorophenyl)-7-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 66808975
(1R,3S)-1-(3,4-dichlorophenyl)-3-methyl-2,3-dihydro-1H-indene
CID 54553970
(1S,3S)-3-chloro-1-(3,4-dichlorophenyl)-5-methoxy-2,3-dihydro-1H-indene
CID 131864192
[2-(2,2-difluorocyclopropyl)-5-(methoxymethyl)phenyl]methanamine
CID 90156027
3-chloro-6-[6-(methoxymethyl)-1,3-dihydro-2-benzofuran-1-yl]quinoline
CID 139442841

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-6-(methoxymethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 4-(3,4-dichlorophenyl)-6-(methoxymethyl)-1,2,3,4-tetrahydronaphthalen-2-amine (CID 91076411) is 4-(3,4-dichlorophenyl)-6-(methoxymethyl)-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-6-(methoxymethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 4-(3,4-dichlorophenyl)-6-(methoxymethyl)-1,2,3,4-tetrahydronaphthalen-2-amine is COCc1ccc2c(c1)C(c1ccc(Cl)c(Cl)c1)CC(N)C2.
What is the InChIKey of 4-(3,4-dichlorophenyl)-6-(methoxymethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is XRIORGNGRFXXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2NO/c1-22-10-11-2-3-12-7-14(21)9-16(15(12)6-11)13-4-5-17(19)18(20)8-13/h2-6,8,14,16H,7,9-10,21H2,1H3.
What are the key properties of 4-(3,4-dichlorophenyl)-6-(methoxymethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
4-(3,4-dichlorophenyl)-6-(methoxymethyl)-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 336.26 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-6-(methoxymethyl)-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 91076411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).