N-[3-(1H-indol-3-yl)propyl]-1-phenylpropan-2-amine

C20H24N2 — CID 110176604

IUPACN-[3-(1H-indol-3-yl)propyl]-1-phenylpropan-2-amine
SMILESCC(Cc1ccccc1)NCCCc1c[nH]c2ccccc12
InChIInChI=1S/C20H24N2/c1-16(14-17-8-3-2-4-9-17)21-13-7-10-18-15-22-20-12-6-5-11-19(18)20/h2-6,8-9,11-12,15-16,21-22H,7,10,13-14H2,1H3
InChIKeyPXQNRBCPERYNBM-UHFFFAOYSA-N
MW292.43 g/mol
LogP4.32
Rot. Bonds7

About N-[3-(1H-indol-3-yl)propyl]-1-phenylpropan-2-amine

N-[3-(1H-indol-3-yl)propyl]-1-phenylpropan-2-amine (PubChem CID 110176604) has the molecular formula C20H24N2 and a molecular weight of 292.43 g/mol. Its IUPAC name is N-[3-(1H-indol-3-yl)propyl]-1-phenylpropan-2-amine.

Molecular Properties

Compound NameN-[3-(1H-indol-3-yl)propyl]-1-phenylpropan-2-amine
PubChem CID110176604
Molecular FormulaC20H24N2
Molecular Weight292.43 g/mol
Exact Mass292.19
IUPAC NameN-[3-(1H-indol-3-yl)propyl]-1-phenylpropan-2-amine
SMILESCC(Cc1ccccc1)NCCCc1c[nH]c2ccccc12
InChIInChI=1S/C20H24N2/c1-16(14-17-8-3-2-4-9-17)21-13-7-10-18-15-22-20-12-6-5-11-19(18)20/h2-6,8-9,11-12,15-16,21-22H,7,10,13-14H2,1H3
InChIKeyPXQNRBCPERYNBM-UHFFFAOYSA-N
XLogP4.32
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-1-phenylpropan-2-yl]-N'-[(2S)-1-phenylpropan-2-yl]nonane-1,9-diamine
CID 7272117
N'-[1-(1H-indol-3-yl)propan-2-yl]ethane-1,2-diamine
CID 3497526
1-(4-fluorophenyl)-N-(1H-indol-3-ylmethyl)propan-2-amine
CID 60958104
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
N-[2-(1H-indol-3-yl)ethyl]-3-methylbutan-2-amine
CID 43202427
2-[4-(1H-indol-3-yl)butanoylamino]-3-phenylpropanoic acid
CID 6917052
N-benzhydryl-2-(1H-indol-3-yl)ethanamine
CID 101231581
3-heptyl-1H-indole
CID 15360907
N-[(2S)-2-hydroxy-3-phenylpropyl]-4-(1H-indol-3-yl)butanamide
CID 95302760
N-[1-(1H-indol-3-yl)propan-2-yl]-3-phenylpropanamide
CID 142880124
N-(2,6-dimethylphenyl)-3-(1H-indol-3-yl)-2-(3-phenylpropylamino)propanamide
CID 155526128
1-(4-bromophenyl)-N-(3-phenylpropyl)propan-2-amine;hydrochloride
CID 18790284

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-indol-3-yl)propyl]-1-phenylpropan-2-amine?
The IUPAC name of N-[3-(1H-indol-3-yl)propyl]-1-phenylpropan-2-amine (CID 110176604) is N-[3-(1H-indol-3-yl)propyl]-1-phenylpropan-2-amine.
What is the SMILES notation for N-[3-(1H-indol-3-yl)propyl]-1-phenylpropan-2-amine?
The canonical SMILES for N-[3-(1H-indol-3-yl)propyl]-1-phenylpropan-2-amine is CC(Cc1ccccc1)NCCCc1c[nH]c2ccccc12.
What is the InChIKey of N-[3-(1H-indol-3-yl)propyl]-1-phenylpropan-2-amine?
The InChIKey is PXQNRBCPERYNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2/c1-16(14-17-8-3-2-4-9-17)21-13-7-10-18-15-22-20-12-6-5-11-19(18)20/h2-6,8-9,11-12,15-16,21-22H,7,10,13-14H2,1H3.
What are the key properties of N-[3-(1H-indol-3-yl)propyl]-1-phenylpropan-2-amine?
N-[3-(1H-indol-3-yl)propyl]-1-phenylpropan-2-amine has a molecular weight of 292.43 g/mol, XLogP of 4.32, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-indol-3-yl)propyl]-1-phenylpropan-2-amine is sourced from PubChem (CID 110176604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).