1-(1-benzylindol-3-yl)propan-2-amine

C18H20N2 — CID 3137663

IUPAC1-(1-benzylindol-3-yl)propan-2-amine
SMILESCC(N)Cc1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C18H20N2/c1-14(19)11-16-13-20(12-15-7-3-2-4-8-15)18-10-6-5-9-17(16)18/h2-10,13-14H,11-12,19H2,1H3
InChIKeyGDRWQEOJSGTFNQ-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.58
Rot. Bonds4

About 1-(1-benzylindol-3-yl)propan-2-amine

1-(1-benzylindol-3-yl)propan-2-amine (PubChem CID 3137663) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(1-benzylindol-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(1-benzylindol-3-yl)propan-2-amine
PubChem CID3137663
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name1-(1-benzylindol-3-yl)propan-2-amine
SMILESCC(N)Cc1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C18H20N2/c1-14(19)11-16-13-20(12-15-7-3-2-4-8-15)18-10-6-5-9-17(16)18/h2-10,13-14H,11-12,19H2,1H3
InChIKeyGDRWQEOJSGTFNQ-UHFFFAOYSA-N
XLogP3.58
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(2-phenylethyl)indol-3-yl]propan-2-amine
CID 66404648
(2S)-1-(1-benzyl-5-fluoroindol-3-yl)propan-2-amine
CID 41063932
1-(1-ethylindol-3-yl)propan-2-amine
CID 6484661
1-[1-(pyrimidin-2-ylmethyl)indol-3-yl]propan-2-amine
CID 66404853
methyl 2-amino-3-(1-benzylindol-3-yl)propanoate
CID 14659443
1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]indol-3-yl]propan-2-amine
CID 66404653
methyl 2-[3-(2-aminopropyl)indol-1-yl]acetate
CID 170891361
1-[1-(2-ethylsulfonylethyl)indol-3-yl]propan-2-amine
CID 66406061
2-(1-benzylindol-3-yl)ethanol
CID 13134935
(2S)-2-amino-3-[1-[(3-methoxyphenyl)methyl]indol-3-yl]propanoic acid
CID 91073519
(2S)-2-amino-3-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]propanoic acid
CID 68815263
chloro (2S)-2-amino-3-[1-[(3-methoxyphenyl)methyl]indol-3-yl]propanoate
CID 68812855

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylindol-3-yl)propan-2-amine?
The IUPAC name of 1-(1-benzylindol-3-yl)propan-2-amine (CID 3137663) is 1-(1-benzylindol-3-yl)propan-2-amine.
What is the SMILES notation for 1-(1-benzylindol-3-yl)propan-2-amine?
The canonical SMILES for 1-(1-benzylindol-3-yl)propan-2-amine is CC(N)Cc1cn(Cc2ccccc2)c2ccccc12.
What is the InChIKey of 1-(1-benzylindol-3-yl)propan-2-amine?
The InChIKey is GDRWQEOJSGTFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2/c1-14(19)11-16-13-20(12-15-7-3-2-4-8-15)18-10-6-5-9-17(16)18/h2-10,13-14H,11-12,19H2,1H3.
What are the key properties of 1-(1-benzylindol-3-yl)propan-2-amine?
1-(1-benzylindol-3-yl)propan-2-amine has a molecular weight of 264.37 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylindol-3-yl)propan-2-amine is sourced from PubChem (CID 3137663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).