(1S)-1-(4-chlorophenyl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)ethanamine

C17H19ClN2 — CID 81352928

IUPAC(1S)-1-(4-chlorophenyl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)ethanamine
SMILESC[C@H](NCc1cccc2c1NCC2)c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2/c1-12(13-5-7-16(18)8-6-13)20-11-15-4-2-3-14-9-10-19-17(14)15/h2-8,12,19-20H,9-11H2,1H3/t12-/m0/s1
InChIKeyCWTRSMMRIPFZGA-LBPRGKRZSA-N
MW286.81 g/mol
LogP4.16
Rot. Bonds4

About (1S)-1-(4-chlorophenyl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)ethanamine

(1S)-1-(4-chlorophenyl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)ethanamine (PubChem CID 81352928) has the molecular formula C17H19ClN2 and a molecular weight of 286.81 g/mol. Its IUPAC name is (1S)-1-(4-chlorophenyl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(4-chlorophenyl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)ethanamine
PubChem CID81352928
Molecular FormulaC17H19ClN2
Molecular Weight286.81 g/mol
Exact Mass286.12
IUPAC Name(1S)-1-(4-chlorophenyl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)ethanamine
SMILESC[C@H](NCc1cccc2c1NCC2)c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2/c1-12(13-5-7-16(18)8-6-13)20-11-15-4-2-3-14-9-10-19-17(14)15/h2-8,12,19-20H,9-11H2,1H3/t12-/m0/s1
InChIKeyCWTRSMMRIPFZGA-LBPRGKRZSA-N
XLogP4.16
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)ethanamine
CID 80649791
N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(3-fluoro-4-methylphenyl)ethanamine
CID 80649541
1-(4-fluorophenyl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
CID 80648669
(1R)-1-(4-fluorophenyl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
CID 81351706
N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-pyridin-3-ylethanamine
CID 80650370
N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(2-fluorophenyl)ethanamine
CID 80649925
(1R)-N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 81382251
(1R)-N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-thiophen-2-ylethanamine
CID 81398862
N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-ethylpentan-2-amine
CID 80649218
N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-2-amine
CID 80648504
N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(2,5-dimethylfuran-3-yl)ethanamine
CID 80649702
N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-methoxy-3-methylbutan-2-amine
CID 80650058

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-chlorophenyl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)ethanamine?
The IUPAC name of (1S)-1-(4-chlorophenyl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)ethanamine (CID 81352928) is (1S)-1-(4-chlorophenyl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)ethanamine.
What is the SMILES notation for (1S)-1-(4-chlorophenyl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)ethanamine?
The canonical SMILES for (1S)-1-(4-chlorophenyl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)ethanamine is C[C@H](NCc1cccc2c1NCC2)c1ccc(Cl)cc1.
What is the InChIKey of (1S)-1-(4-chlorophenyl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)ethanamine?
The InChIKey is CWTRSMMRIPFZGA-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19ClN2/c1-12(13-5-7-16(18)8-6-13)20-11-15-4-2-3-14-9-10-19-17(14)15/h2-8,12,19-20H,9-11H2,1H3/t12-/m0/s1.
What are the key properties of (1S)-1-(4-chlorophenyl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)ethanamine?
(1S)-1-(4-chlorophenyl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)ethanamine has a molecular weight of 286.81 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-chlorophenyl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)ethanamine is sourced from PubChem (CID 81352928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).