1-(3-chlorophenyl)-N-(1H-indol-6-ylmethyl)propan-1-amine

C18H19ClN2 — CID 102909523

IUPAC1-(3-chlorophenyl)-N-(1H-indol-6-ylmethyl)propan-1-amine
SMILESCCC(NCc1ccc2cc[nH]c2c1)c1cccc(Cl)c1
InChIInChI=1S/C18H19ClN2/c1-2-17(15-4-3-5-16(19)11-15)21-12-13-6-7-14-8-9-20-18(14)10-13/h3-11,17,20-21H,2,12H2,1H3
InChIKeyNOYGIFZPIYZDPR-UHFFFAOYSA-N
MW298.82 g/mol
LogP5.06
Rot. Bonds5

About 1-(3-chlorophenyl)-N-(1H-indol-6-ylmethyl)propan-1-amine

1-(3-chlorophenyl)-N-(1H-indol-6-ylmethyl)propan-1-amine (PubChem CID 102909523) has the molecular formula C18H19ClN2 and a molecular weight of 298.82 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(1H-indol-6-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(1H-indol-6-ylmethyl)propan-1-amine
PubChem CID102909523
Molecular FormulaC18H19ClN2
Molecular Weight298.82 g/mol
Exact Mass298.12
IUPAC Name1-(3-chlorophenyl)-N-(1H-indol-6-ylmethyl)propan-1-amine
SMILESCCC(NCc1ccc2cc[nH]c2c1)c1cccc(Cl)c1
InChIInChI=1S/C18H19ClN2/c1-2-17(15-4-3-5-16(19)11-15)21-12-13-6-7-14-8-9-20-18(14)10-13/h3-11,17,20-21H,2,12H2,1H3
InChIKeyNOYGIFZPIYZDPR-UHFFFAOYSA-N
XLogP5.06
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.82
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[4-[[1-(3-chlorophenyl)propylamino]methyl]phenyl]methanol
CID 103947369
N-(1H-indol-5-ylmethyl)-1-phenylpropan-1-amine
CID 102910676
(1S)-1-(4-chlorophenyl)-N-(1H-indol-6-ylmethyl)ethanamine
CID 102911528
N-[(3-chlorophenyl)methyl]-1-(3-fluorophenyl)propan-1-amine
CID 114871542
5-[[1-(3-chlorophenyl)propylamino]methyl]-2-fluorobenzonitrile
CID 103913061
(1S)-1-(3-fluorophenyl)-N-(1H-indol-6-ylmethyl)ethanamine
CID 102911546
2-(3-chlorophenyl)-N-(1H-indol-6-ylmethyl)ethanamine
CID 53274413
1-(3-chlorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 43206298
3-[1-(3-chlorophenyl)propylamino]-2-methylpropan-1-ol
CID 65031717
1-(3-chlorophenyl)-N-(2-phenylpropyl)propan-1-amine
CID 43096371
N-(1H-indol-6-ylmethyl)-1-(4-methylphenyl)ethanamine
CID 102910050
1-(3-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]propan-1-amine
CID 43673993

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(1H-indol-6-ylmethyl)propan-1-amine?
The IUPAC name of 1-(3-chlorophenyl)-N-(1H-indol-6-ylmethyl)propan-1-amine (CID 102909523) is 1-(3-chlorophenyl)-N-(1H-indol-6-ylmethyl)propan-1-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(1H-indol-6-ylmethyl)propan-1-amine?
The canonical SMILES for 1-(3-chlorophenyl)-N-(1H-indol-6-ylmethyl)propan-1-amine is CCC(NCc1ccc2cc[nH]c2c1)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-(1H-indol-6-ylmethyl)propan-1-amine?
The InChIKey is NOYGIFZPIYZDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2/c1-2-17(15-4-3-5-16(19)11-15)21-12-13-6-7-14-8-9-20-18(14)10-13/h3-11,17,20-21H,2,12H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-N-(1H-indol-6-ylmethyl)propan-1-amine?
1-(3-chlorophenyl)-N-(1H-indol-6-ylmethyl)propan-1-amine has a molecular weight of 298.82 g/mol, XLogP of 5.06, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(1H-indol-6-ylmethyl)propan-1-amine is sourced from PubChem (CID 102909523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).