1-[1-(2-phenylethyl)indol-3-yl]propan-2-amine

C19H22N2 — CID 66404648

IUPAC1-[1-(2-phenylethyl)indol-3-yl]propan-2-amine
SMILESCC(N)Cc1cn(CCc2ccccc2)c2ccccc12
InChIInChI=1S/C19H22N2/c1-15(20)13-17-14-21(19-10-6-5-9-18(17)19)12-11-16-7-3-2-4-8-16/h2-10,14-15H,11-13,20H2,1H3
InChIKeyAUQPLQQBSVURSO-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.77
Rot. Bonds5

About 1-[1-(2-phenylethyl)indol-3-yl]propan-2-amine

1-[1-(2-phenylethyl)indol-3-yl]propan-2-amine (PubChem CID 66404648) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[1-(2-phenylethyl)indol-3-yl]propan-2-amine.

Molecular Properties

Compound Name1-[1-(2-phenylethyl)indol-3-yl]propan-2-amine
PubChem CID66404648
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name1-[1-(2-phenylethyl)indol-3-yl]propan-2-amine
SMILESCC(N)Cc1cn(CCc2ccccc2)c2ccccc12
InChIInChI=1S/C19H22N2/c1-15(20)13-17-14-21(19-10-6-5-9-18(17)19)12-11-16-7-3-2-4-8-16/h2-10,14-15H,11-13,20H2,1H3
InChIKeyAUQPLQQBSVURSO-UHFFFAOYSA-N
XLogP3.77
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzylindol-3-yl)propan-2-amine
CID 3137663
1-[1-(2-ethylsulfonylethyl)indol-3-yl]propan-2-amine
CID 66406061
1-(1-ethylindol-3-yl)propan-2-amine
CID 6484661
methyl 2-[3-(2-aminopropyl)indol-1-yl]acetate
CID 170891361
1-[1-(pyrimidin-2-ylmethyl)indol-3-yl]propan-2-amine
CID 66404853
2-[3-(2-aminopropyl)indol-1-yl]-1-pyrrolidin-1-ylethanone
CID 170891339
2-[1-(3-phenylpropyl)indol-3-yl]ethanamine
CID 63156675
2-[3-(2-aminopropyl)indol-1-yl]-1-(azepan-1-yl)ethanone
CID 165344030
methyl 2-amino-3-(1-benzylindol-3-yl)propanoate
CID 14659443
(2S)-1-(1-benzyl-5-fluoroindol-3-yl)propan-2-amine
CID 41063932
3-[3-[[(2-hydroxy-3-phenylpropyl)amino]methyl]indol-1-yl]propanamide
CID 46989574
3-[(2R)-2-aminopropyl]indole-1-carboxylic acid;(2R)-2-amino-3-sulfanylpropanoic acid
CID 88609118

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-phenylethyl)indol-3-yl]propan-2-amine?
The IUPAC name of 1-[1-(2-phenylethyl)indol-3-yl]propan-2-amine (CID 66404648) is 1-[1-(2-phenylethyl)indol-3-yl]propan-2-amine.
What is the SMILES notation for 1-[1-(2-phenylethyl)indol-3-yl]propan-2-amine?
The canonical SMILES for 1-[1-(2-phenylethyl)indol-3-yl]propan-2-amine is CC(N)Cc1cn(CCc2ccccc2)c2ccccc12.
What is the InChIKey of 1-[1-(2-phenylethyl)indol-3-yl]propan-2-amine?
The InChIKey is AUQPLQQBSVURSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2/c1-15(20)13-17-14-21(19-10-6-5-9-18(17)19)12-11-16-7-3-2-4-8-16/h2-10,14-15H,11-13,20H2,1H3.
What are the key properties of 1-[1-(2-phenylethyl)indol-3-yl]propan-2-amine?
1-[1-(2-phenylethyl)indol-3-yl]propan-2-amine has a molecular weight of 278.40 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-phenylethyl)indol-3-yl]propan-2-amine is sourced from PubChem (CID 66404648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).