N-(1H-indol-5-ylmethyl)-1-phenylpropan-2-amine

C18H20N2 — CID 102910859

IUPACN-(1H-indol-5-ylmethyl)-1-phenylpropan-2-amine
SMILESCC(Cc1ccccc1)NCc1ccc2[nH]ccc2c1
InChIInChI=1S/C18H20N2/c1-14(11-15-5-3-2-4-6-15)20-13-16-7-8-18-17(12-16)9-10-19-18/h2-10,12,14,19-20H,11,13H2,1H3
InChIKeyXVTPQWQUBQZDTI-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.89
Rot. Bonds5

About N-(1H-indol-5-ylmethyl)-1-phenylpropan-2-amine

N-(1H-indol-5-ylmethyl)-1-phenylpropan-2-amine (PubChem CID 102910859) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-(1H-indol-5-ylmethyl)-1-phenylpropan-2-amine.

Molecular Properties

Compound NameN-(1H-indol-5-ylmethyl)-1-phenylpropan-2-amine
PubChem CID102910859
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC NameN-(1H-indol-5-ylmethyl)-1-phenylpropan-2-amine
SMILESCC(Cc1ccccc1)NCc1ccc2[nH]ccc2c1
InChIInChI=1S/C18H20N2/c1-14(11-15-5-3-2-4-6-15)20-13-16-7-8-18-17(12-16)9-10-19-18/h2-10,12,14,19-20H,11,13H2,1H3
InChIKeyXVTPQWQUBQZDTI-UHFFFAOYSA-N
XLogP3.89
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 ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1H-indol-5-ylmethyl)-1-phenylpropan-1-amine
CID 102910676
3-N-(1H-indol-5-ylmethyl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 102910480
1-(3-fluorophenyl)-N-(1H-indol-5-ylmethyl)ethanamine
CID 102909354
N-[[4-(difluoromethyl)phenyl]methyl]-1-phenylpropan-2-amine
CID 115523981
N-[(3-fluoro-4-methylphenyl)methyl]-1-phenylpropan-2-amine
CID 63647039
N-(1-phenylbutan-2-yl)-1H-indol-5-amine
CID 79007478
1-(2,5-dimethylphenyl)-N-(1H-indol-5-ylmethyl)ethanamine
CID 102909779
1-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-2-amine
CID 55026029
4-[1-(1H-indol-5-ylmethylamino)ethyl]benzonitrile
CID 102909627
4-[2-(benzylamino)propyl]phenol;hydrobromide
CID 54609236
3-cyclopropyl-3-(1H-indol-5-ylmethylamino)-2,2-dimethylpropanoic acid
CID 167936932
1-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]propan-2-amine
CID 63011929

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-5-ylmethyl)-1-phenylpropan-2-amine?
The IUPAC name of N-(1H-indol-5-ylmethyl)-1-phenylpropan-2-amine (CID 102910859) is N-(1H-indol-5-ylmethyl)-1-phenylpropan-2-amine.
What is the SMILES notation for N-(1H-indol-5-ylmethyl)-1-phenylpropan-2-amine?
The canonical SMILES for N-(1H-indol-5-ylmethyl)-1-phenylpropan-2-amine is CC(Cc1ccccc1)NCc1ccc2[nH]ccc2c1.
What is the InChIKey of N-(1H-indol-5-ylmethyl)-1-phenylpropan-2-amine?
The InChIKey is XVTPQWQUBQZDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2/c1-14(11-15-5-3-2-4-6-15)20-13-16-7-8-18-17(12-16)9-10-19-18/h2-10,12,14,19-20H,11,13H2,1H3.
What are the key properties of N-(1H-indol-5-ylmethyl)-1-phenylpropan-2-amine?
N-(1H-indol-5-ylmethyl)-1-phenylpropan-2-amine has a molecular weight of 264.37 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-5-ylmethyl)-1-phenylpropan-2-amine is sourced from PubChem (CID 102910859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).