3-(3-chloro-4-fluorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride

C17H18Cl2FN — CID 45260277

IUPAC3-(3-chloro-4-fluorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
SMILESCN(C)C1CC(c2ccc(F)c(Cl)c2)c2ccccc21.Cl
InChIInChI=1S/C17H17ClFN.ClH/c1-20(2)17-10-14(12-5-3-4-6-13(12)17)11-7-8-16(19)15(18)9-11;/h3-9,14,17H,10H2,1-2H3;1H
InChIKeyMNIVJBQFYPZOCR-UHFFFAOYSA-N
MW326.24 g/mol
LogP5.04
Rot. Bonds2

About 3-(3-chloro-4-fluorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride

3-(3-chloro-4-fluorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride (PubChem CID 45260277) has the molecular formula C17H18Cl2FN and a molecular weight of 326.24 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
PubChem CID45260277
Molecular FormulaC17H18Cl2FN
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name3-(3-chloro-4-fluorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
SMILESCN(C)C1CC(c2ccc(F)c(Cl)c2)c2ccccc21.Cl
InChIInChI=1S/C17H17ClFN.ClH/c1-20(2)17-10-14(12-5-3-4-6-13(12)17)11-7-8-16(19)15(18)9-11;/h3-9,14,17H,10H2,1-2H3;1H
InChIKeyMNIVJBQFYPZOCR-UHFFFAOYSA-N
XLogP5.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.24
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,3S)-3-(3-chloro-4-fluorophenyl)-2,3-dihydro-1H-inden-1-ol
CID 131864185
4-(4-chloro-3-fluorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 91240365
(1S,3S)-N,N-dimethyl-3-naphthalen-2-yl-2,3-dihydro-1H-inden-1-amine
CID 10171662
N,N-dimethyl-3-phenyl-2,3-dihydro-1H-inden-1-amine
CID 21760
(1R,4R)-4-(3,4-dichlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 13408774
(3S)-3-(3-chloro-4-fluorophenyl)-2,3-dihydroinden-1-one
CID 129405671
(1R,3S)-1-(3,4-dichlorophenyl)-3-methyl-2,3-dihydro-1H-indene
CID 54553970
4-(3-chloro-4-methylphenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 42601731
(1S,3S)-3-(3,4-difluorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 59582043
(1R,4S)-N,N-dimethyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 54587686
(1R,3S)-3-(1,3-benzodioxol-5-yl)-N-ethyl-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 69207213
3-(3-chloro-4-fluorophenyl)-N,N-dimethyl-1H-inden-1-amine
CID 70520120

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride (CID 45260277) is 3-(3-chloro-4-fluorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride is CN(C)C1CC(c2ccc(F)c(Cl)c2)c2ccccc21.Cl.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The InChIKey is MNIVJBQFYPZOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN.ClH/c1-20(2)17-10-14(12-5-3-4-6-13(12)17)11-7-8-16(19)15(18)9-11;/h3-9,14,17H,10H2,1-2H3;1H.
What are the key properties of 3-(3-chloro-4-fluorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride?
3-(3-chloro-4-fluorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride has a molecular weight of 326.24 g/mol, XLogP of 5.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride is sourced from PubChem (CID 45260277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).