N-[(6-chloro-1H-indol-3-yl)methyl]-1-pyridin-4-ylethanamine

C16H16ClN3 — CID 78968571

IUPACN-[(6-chloro-1H-indol-3-yl)methyl]-1-pyridin-4-ylethanamine
SMILESCC(NCc1c[nH]c2cc(Cl)ccc12)c1ccncc1
InChIInChI=1S/C16H16ClN3/c1-11(12-4-6-18-7-5-12)19-9-13-10-20-16-8-14(17)2-3-15(13)16/h2-8,10-11,19-20H,9H2,1H3
InChIKeyVMDJVYCZROPGJQ-UHFFFAOYSA-N
MW285.78 g/mol
LogP4.07
Rot. Bonds4

About N-[(6-chloro-1H-indol-3-yl)methyl]-1-pyridin-4-ylethanamine

N-[(6-chloro-1H-indol-3-yl)methyl]-1-pyridin-4-ylethanamine (PubChem CID 78968571) has the molecular formula C16H16ClN3 and a molecular weight of 285.78 g/mol. Its IUPAC name is N-[(6-chloro-1H-indol-3-yl)methyl]-1-pyridin-4-ylethanamine.

Molecular Properties

Compound NameN-[(6-chloro-1H-indol-3-yl)methyl]-1-pyridin-4-ylethanamine
PubChem CID78968571
Molecular FormulaC16H16ClN3
Molecular Weight285.78 g/mol
Exact Mass285.10
IUPAC NameN-[(6-chloro-1H-indol-3-yl)methyl]-1-pyridin-4-ylethanamine
SMILESCC(NCc1c[nH]c2cc(Cl)ccc12)c1ccncc1
InChIInChI=1S/C16H16ClN3/c1-11(12-4-6-18-7-5-12)19-9-13-10-20-16-8-14(17)2-3-15(13)16/h2-8,10-11,19-20H,9H2,1H3
InChIKeyVMDJVYCZROPGJQ-UHFFFAOYSA-N
XLogP4.07
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-N-(1H-indol-3-ylmethyl)-1-pyridin-4-ylethanamine
CID 81406304
N-[(6-chloro-1H-indol-3-yl)methyl]-1-thiophen-2-ylethanamine
CID 78968532
N-[(2,5-dichlorophenyl)methyl]-1-pyridin-4-ylethanamine
CID 65316008
N-[(6-chloro-1H-indol-3-yl)methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
CID 78968443
N-[(6-chloro-1H-indol-3-yl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine
CID 78968459
1-(3-chlorophenyl)-N-(1H-indol-3-ylmethyl)ethanamine
CID 60664434
N-[(6-chloro-1H-indol-3-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 78968616
(1R)-N-[(3,5-dichlorophenyl)methyl]-1-pyridin-4-ylethanamine
CID 81406292
N-[(6-chloro-1H-indol-3-yl)methyl]-2-methoxypropan-1-amine
CID 102695801
3-[(6-chloro-1H-indol-3-yl)methylamino]-2-methylpropan-1-ol
CID 78971605
2,4-dichloro-6-[(1-pyridin-4-ylethylamino)methyl]phenol
CID 43202255
(1S)-N-(1H-indol-3-ylmethyl)-1-pyridin-3-ylethanamine
CID 81407385

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-1H-indol-3-yl)methyl]-1-pyridin-4-ylethanamine?
The IUPAC name of N-[(6-chloro-1H-indol-3-yl)methyl]-1-pyridin-4-ylethanamine (CID 78968571) is N-[(6-chloro-1H-indol-3-yl)methyl]-1-pyridin-4-ylethanamine.
What is the SMILES notation for N-[(6-chloro-1H-indol-3-yl)methyl]-1-pyridin-4-ylethanamine?
The canonical SMILES for N-[(6-chloro-1H-indol-3-yl)methyl]-1-pyridin-4-ylethanamine is CC(NCc1c[nH]c2cc(Cl)ccc12)c1ccncc1.
What is the InChIKey of N-[(6-chloro-1H-indol-3-yl)methyl]-1-pyridin-4-ylethanamine?
The InChIKey is VMDJVYCZROPGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3/c1-11(12-4-6-18-7-5-12)19-9-13-10-20-16-8-14(17)2-3-15(13)16/h2-8,10-11,19-20H,9H2,1H3.
What are the key properties of N-[(6-chloro-1H-indol-3-yl)methyl]-1-pyridin-4-ylethanamine?
N-[(6-chloro-1H-indol-3-yl)methyl]-1-pyridin-4-ylethanamine has a molecular weight of 285.78 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-1H-indol-3-yl)methyl]-1-pyridin-4-ylethanamine is sourced from PubChem (CID 78968571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).