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

C18H20N2 — CID 102910676

IUPACN-(1H-indol-5-ylmethyl)-1-phenylpropan-1-amine
SMILESCCC(NCc1ccc2[nH]ccc2c1)c1ccccc1
InChIInChI=1S/C18H20N2/c1-2-17(15-6-4-3-5-7-15)20-13-14-8-9-18-16(12-14)10-11-19-18/h3-12,17,19-20H,2,13H2,1H3
InChIKeyUCBHYKKBLKAQOU-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.41
Rot. Bonds5

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

N-(1H-indol-5-ylmethyl)-1-phenylpropan-1-amine (PubChem CID 102910676) 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-1-amine.

Molecular Properties

Compound NameN-(1H-indol-5-ylmethyl)-1-phenylpropan-1-amine
PubChem CID102910676
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC NameN-(1H-indol-5-ylmethyl)-1-phenylpropan-1-amine
SMILESCCC(NCc1ccc2[nH]ccc2c1)c1ccccc1
InChIInChI=1S/C18H20N2/c1-2-17(15-6-4-3-5-7-15)20-13-14-8-9-18-16(12-14)10-11-19-18/h3-12,17,19-20H,2,13H2,1H3
InChIKeyUCBHYKKBLKAQOU-UHFFFAOYSA-N
XLogP4.41
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 ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1H-indol-5-ylmethyl)-1-phenylpropan-2-amine
CID 102910859
1-(3-chlorophenyl)-N-(1H-indol-6-ylmethyl)propan-1-amine
CID 102909523
1-(3-fluorophenyl)-N-(1H-indol-5-ylmethyl)ethanamine
CID 102909354
1-(1H-indol-5-yl)-3-[(1S)-1-phenylpropyl]urea
CID 155432644
N-[(4-cyclopropylphenyl)methyl]-1-phenylpropan-1-amine
CID 79979602
N-[(3-bromo-4-methoxyphenyl)methyl]-1-phenylpropan-1-amine
CID 62048590
3-N-(1H-indol-5-ylmethyl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 102910480
4-[1-(1H-indol-5-ylmethylamino)ethyl]benzonitrile
CID 102909627
1-phenyl-N-[(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 62048044
1-phenyl-N-(pyrimidin-5-ylmethyl)propan-1-amine
CID 62759378
1-(2,5-dimethylphenyl)-N-(1H-indol-5-ylmethyl)ethanamine
CID 102909779
ethyl N-(1H-indol-5-ylmethyl)carbamate
CID 59248610

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-5-ylmethyl)-1-phenylpropan-1-amine?
The IUPAC name of N-(1H-indol-5-ylmethyl)-1-phenylpropan-1-amine (CID 102910676) is N-(1H-indol-5-ylmethyl)-1-phenylpropan-1-amine.
What is the SMILES notation for N-(1H-indol-5-ylmethyl)-1-phenylpropan-1-amine?
The canonical SMILES for N-(1H-indol-5-ylmethyl)-1-phenylpropan-1-amine is CCC(NCc1ccc2[nH]ccc2c1)c1ccccc1.
What is the InChIKey of N-(1H-indol-5-ylmethyl)-1-phenylpropan-1-amine?
The InChIKey is UCBHYKKBLKAQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2/c1-2-17(15-6-4-3-5-7-15)20-13-14-8-9-18-16(12-14)10-11-19-18/h3-12,17,19-20H,2,13H2,1H3.
What are the key properties of N-(1H-indol-5-ylmethyl)-1-phenylpropan-1-amine?
N-(1H-indol-5-ylmethyl)-1-phenylpropan-1-amine has a molecular weight of 264.37 g/mol, XLogP of 4.41, 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-1-amine is sourced from PubChem (CID 102910676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).