N-benzyl-2-(1H-indol-3-yl)propan-1-amine

C18H20N2 — CID 132526366

IUPACN-benzyl-2-(1H-indol-3-yl)propan-1-amine
SMILESCC(CNCc1ccccc1)c1c[nH]c2ccccc12
InChIInChI=1S/C18H20N2/c1-14(11-19-12-15-7-3-2-4-8-15)17-13-20-18-10-6-5-9-16(17)18/h2-10,13-14,19-20H,11-12H2,1H3
InChIKeyXOPZMZRXCPNTNX-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.06
Rot. Bonds5

About N-benzyl-2-(1H-indol-3-yl)propan-1-amine

N-benzyl-2-(1H-indol-3-yl)propan-1-amine (PubChem CID 132526366) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-benzyl-2-(1H-indol-3-yl)propan-1-amine.

Molecular Properties

Compound NameN-benzyl-2-(1H-indol-3-yl)propan-1-amine
PubChem CID132526366
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC NameN-benzyl-2-(1H-indol-3-yl)propan-1-amine
SMILESCC(CNCc1ccccc1)c1c[nH]c2ccccc12
InChIInChI=1S/C18H20N2/c1-14(11-19-12-15-7-3-2-4-8-15)17-13-20-18-10-6-5-9-16(17)18/h2-10,13-14,19-20H,11-12H2,1H3
InChIKeyXOPZMZRXCPNTNX-UHFFFAOYSA-N
XLogP4.06
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-propan-2-yl-1H-indole
CID 12534824
2-(1H-indol-3-yl)propan-1-amine
CID 6452095
2-(1H-indol-3-yl)propan-1-amine;hydrochloride
CID 11970278
(3R)-3-(1H-indol-3-yl)butan-1-ol
CID 93483686
N-[(2R)-2-(1H-indol-3-yl)propyl]-4-methylbenzenesulfonamide
CID 101158082
(2S)-1-(benzylamino)propan-2-ol
CID 964914
1-(1H-indol-3-yl)-N'-propan-2-ylethane-1,2-diamine
CID 116935052
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)propyl]propanamide
CID 70207021
N'-ethyl-1-(1H-indol-3-yl)ethane-1,2-diamine
CID 116934899
N-benzyl-3-(1H-indol-3-yl)-3-(4-methylphenyl)propanamide
CID 46131344
N-benzyl-2-methylpropan-1-amine;ethane
CID 142079167
2-[[benzyl(hydroxy)phosphoryl]amino]-4-(1H-indol-3-yl)pentanoic acid
CID 69296374

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(1H-indol-3-yl)propan-1-amine?
The IUPAC name of N-benzyl-2-(1H-indol-3-yl)propan-1-amine (CID 132526366) is N-benzyl-2-(1H-indol-3-yl)propan-1-amine.
What is the SMILES notation for N-benzyl-2-(1H-indol-3-yl)propan-1-amine?
The canonical SMILES for N-benzyl-2-(1H-indol-3-yl)propan-1-amine is CC(CNCc1ccccc1)c1c[nH]c2ccccc12.
What is the InChIKey of N-benzyl-2-(1H-indol-3-yl)propan-1-amine?
The InChIKey is XOPZMZRXCPNTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2/c1-14(11-19-12-15-7-3-2-4-8-15)17-13-20-18-10-6-5-9-16(17)18/h2-10,13-14,19-20H,11-12H2,1H3.
What are the key properties of N-benzyl-2-(1H-indol-3-yl)propan-1-amine?
N-benzyl-2-(1H-indol-3-yl)propan-1-amine has a molecular weight of 264.37 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(1H-indol-3-yl)propan-1-amine is sourced from PubChem (CID 132526366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).