(3R)-3-(1H-indol-6-yl)-3-phenylpropan-1-amine

C17H18N2 — CID 124567431

IUPAC(3R)-3-(1H-indol-6-yl)-3-phenylpropan-1-amine
SMILESNCC[C@H](c1ccccc1)c1ccc2cc[nH]c2c1
InChIInChI=1S/C17H18N2/c18-10-8-16(13-4-2-1-3-5-13)15-7-6-14-9-11-19-17(14)12-15/h1-7,9,11-12,16,19H,8,10,18H2/t16-/m1/s1
InChIKeyCZPDNNAMCHEWCK-MRXNPFEDSA-N
MW250.35 g/mol
LogP3.65
Rot. Bonds4

About (3R)-3-(1H-indol-6-yl)-3-phenylpropan-1-amine

(3R)-3-(1H-indol-6-yl)-3-phenylpropan-1-amine (PubChem CID 124567431) has the molecular formula C17H18N2 and a molecular weight of 250.35 g/mol. Its IUPAC name is (3R)-3-(1H-indol-6-yl)-3-phenylpropan-1-amine.

Molecular Properties

Compound Name(3R)-3-(1H-indol-6-yl)-3-phenylpropan-1-amine
PubChem CID124567431
Molecular FormulaC17H18N2
Molecular Weight250.35 g/mol
Exact Mass250.15
IUPAC Name(3R)-3-(1H-indol-6-yl)-3-phenylpropan-1-amine
SMILESNCC[C@H](c1ccccc1)c1ccc2cc[nH]c2c1
InChIInChI=1S/C17H18N2/c18-10-8-16(13-4-2-1-3-5-13)15-7-6-14-9-11-19-17(14)12-15/h1-7,9,11-12,16,19H,8,10,18H2/t16-/m1/s1
InChIKeyCZPDNNAMCHEWCK-MRXNPFEDSA-N
XLogP3.65
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

Indole
CID 798
Skatole
CID 6736
N,N-Dimethyltryptamine
CID 6089
Carbazole
CID 6854
Tryptamine
CID 1150
Pergolide
CID 47811
Lysergic acid amide
CID 442072
Gramine
CID 6890
Beta-Carboline
CID 64961
(+-)-alpha-Methyltryptamine
CID 9287
Methyltryptamine
CID 6088
3,3'-Diindolylmethane
CID 3071

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(1H-indol-6-yl)-3-phenylpropan-1-amine?
The IUPAC name of (3R)-3-(1H-indol-6-yl)-3-phenylpropan-1-amine (CID 124567431) is (3R)-3-(1H-indol-6-yl)-3-phenylpropan-1-amine.
What is the SMILES notation for (3R)-3-(1H-indol-6-yl)-3-phenylpropan-1-amine?
The canonical SMILES for (3R)-3-(1H-indol-6-yl)-3-phenylpropan-1-amine is NCC[C@H](c1ccccc1)c1ccc2cc[nH]c2c1.
What is the InChIKey of (3R)-3-(1H-indol-6-yl)-3-phenylpropan-1-amine?
The InChIKey is CZPDNNAMCHEWCK-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H18N2/c18-10-8-16(13-4-2-1-3-5-13)15-7-6-14-9-11-19-17(14)12-15/h1-7,9,11-12,16,19H,8,10,18H2/t16-/m1/s1.
What are the key properties of (3R)-3-(1H-indol-6-yl)-3-phenylpropan-1-amine?
(3R)-3-(1H-indol-6-yl)-3-phenylpropan-1-amine has a molecular weight of 250.35 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(1H-indol-6-yl)-3-phenylpropan-1-amine is sourced from PubChem (CID 124567431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).