N-[(4-chlorophenyl)-pyridin-3-ylmethyl]-2-(1H-indol-3-yl)ethanamine

C22H20ClN3 — CID 56676119

IUPACN-[(4-chlorophenyl)-pyridin-3-ylmethyl]-2-(1H-indol-3-yl)ethanamine
SMILESClc1ccc(C(NCCc2c[nH]c3ccccc23)c2cccnc2)cc1
InChIInChI=1S/C22H20ClN3/c23-19-9-7-16(8-10-19)22(18-4-3-12-24-14-18)25-13-11-17-15-26-21-6-2-1-5-20(17)21/h1-10,12,14-15,22,25-26H,11,13H2
InChIKeyZCVKSSVHTLGOKT-UHFFFAOYSA-N
MW361.88 g/mol
LogP5.14
Rot. Bonds6

About N-[(4-chlorophenyl)-pyridin-3-ylmethyl]-2-(1H-indol-3-yl)ethanamine

N-[(4-chlorophenyl)-pyridin-3-ylmethyl]-2-(1H-indol-3-yl)ethanamine (PubChem CID 56676119) has the molecular formula C22H20ClN3 and a molecular weight of 361.88 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-pyridin-3-ylmethyl]-2-(1H-indol-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-pyridin-3-ylmethyl]-2-(1H-indol-3-yl)ethanamine
PubChem CID56676119
Molecular FormulaC22H20ClN3
Molecular Weight361.88 g/mol
Exact Mass361.13
IUPAC NameN-[(4-chlorophenyl)-pyridin-3-ylmethyl]-2-(1H-indol-3-yl)ethanamine
SMILESClc1ccc(C(NCCc2c[nH]c3ccccc23)c2cccnc2)cc1
InChIInChI=1S/C22H20ClN3/c23-19-9-7-16(8-10-19)22(18-4-3-12-24-14-18)25-13-11-17-15-26-21-6-2-1-5-20(17)21/h1-10,12,14-15,22,25-26H,11,13H2
InChIKeyZCVKSSVHTLGOKT-UHFFFAOYSA-N
XLogP5.14
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.88
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzhydryl-2-(1H-indol-3-yl)ethanamine
CID 101231581
(1S)-N-(1H-indol-3-ylmethyl)-1-pyridin-3-ylethanamine
CID 81407385
3-(2-pyridin-3-ylethyl)-1H-indole
CID 19005702
N-[2-(1H-indol-3-yl)ethyl]-3-methylbutan-2-amine
CID 43202427
N-[2-(1H-indol-3-yl)ethyl]-2,6-dipyridin-3-ylpyrimidin-4-amine
CID 5059317
3-(1H-indol-3-yl)-2-pyridin-3-ylpropanamide
CID 173168139
2-chloro-N-[2-(1H-indol-3-yl)ethyl]aniline
CID 171397349
5-N-(4-chlorophenyl)-3-N-[2-(1H-indol-3-yl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112955870
N-[2-(1H-indol-3-yl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine
CID 54881289
2-(1H-indol-3-yl)-N-[(3-pyridin-3-ylphenyl)methyl]ethanamine
CID 150264043
6-chloro-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide
CID 103186743
2-N-(3,4-dichlorophenyl)-4-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 112896754

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-pyridin-3-ylmethyl]-2-(1H-indol-3-yl)ethanamine?
The IUPAC name of N-[(4-chlorophenyl)-pyridin-3-ylmethyl]-2-(1H-indol-3-yl)ethanamine (CID 56676119) is N-[(4-chlorophenyl)-pyridin-3-ylmethyl]-2-(1H-indol-3-yl)ethanamine.
What is the SMILES notation for N-[(4-chlorophenyl)-pyridin-3-ylmethyl]-2-(1H-indol-3-yl)ethanamine?
The canonical SMILES for N-[(4-chlorophenyl)-pyridin-3-ylmethyl]-2-(1H-indol-3-yl)ethanamine is Clc1ccc(C(NCCc2c[nH]c3ccccc23)c2cccnc2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)-pyridin-3-ylmethyl]-2-(1H-indol-3-yl)ethanamine?
The InChIKey is ZCVKSSVHTLGOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3/c23-19-9-7-16(8-10-19)22(18-4-3-12-24-14-18)25-13-11-17-15-26-21-6-2-1-5-20(17)21/h1-10,12,14-15,22,25-26H,11,13H2.
What are the key properties of N-[(4-chlorophenyl)-pyridin-3-ylmethyl]-2-(1H-indol-3-yl)ethanamine?
N-[(4-chlorophenyl)-pyridin-3-ylmethyl]-2-(1H-indol-3-yl)ethanamine has a molecular weight of 361.88 g/mol, XLogP of 5.14, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-pyridin-3-ylmethyl]-2-(1H-indol-3-yl)ethanamine is sourced from PubChem (CID 56676119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).