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

C18H20N2 — CID 115107392

IUPAC3-(1-benzylindol-2-yl)propan-1-amine
SMILESNCCCc1cc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C18H20N2/c19-12-6-10-17-13-16-9-4-5-11-18(16)20(17)14-15-7-2-1-3-8-15/h1-5,7-9,11,13H,6,10,12,14,19H2
InChIKeyBVLYBLBLYJKZCO-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.58
Rot. Bonds5

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

3-(1-benzylindol-2-yl)propan-1-amine (PubChem CID 115107392) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-(1-benzylindol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(1-benzylindol-2-yl)propan-1-amine
PubChem CID115107392
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name3-(1-benzylindol-2-yl)propan-1-amine
SMILESNCCCc1cc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C18H20N2/c19-12-6-10-17-13-16-9-4-5-11-18(16)20(17)14-15-7-2-1-3-8-15/h1-5,7-9,11,13H,6,10,12,14,19H2
InChIKeyBVLYBLBLYJKZCO-UHFFFAOYSA-N
XLogP3.58
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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-benzylindol-2-amine
CID 91418343
6-[1-[(4-methoxyphenyl)methyl]indol-2-yl]hexan-1-ol
CID 142653865
methyl 2-(1-benzylindol-2-yl)acetate
CID 165356079
benzene;3-phenylpropan-1-amine
CID 174865683
3-(7-bromo-1-ethylindol-2-yl)propan-1-amine
CID 117196972
3-(3-benzyltriazol-4-yl)propan-1-amine
CID 84681932
(1-benzylindol-2-yl)-triethylsilane
CID 90095967
1-[1-[(4-iodophenyl)methyl]indol-2-yl]-N-methylmethanamine
CID 65490558
1-benzyl-2-ethyl-6-phenylindole
CID 90874677
1-benzyl-2-oxoquinoline-3-carboxylic acid
CID 22754333
2-chloro-1-[(4-ethylphenyl)methyl]indole
CID 90911946
2-iodo-1-(pyridin-4-ylmethyl)indole
CID 145189554

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylindol-2-yl)propan-1-amine?
The IUPAC name of 3-(1-benzylindol-2-yl)propan-1-amine (CID 115107392) is 3-(1-benzylindol-2-yl)propan-1-amine.
What is the SMILES notation for 3-(1-benzylindol-2-yl)propan-1-amine?
The canonical SMILES for 3-(1-benzylindol-2-yl)propan-1-amine is NCCCc1cc2ccccc2n1Cc1ccccc1.
What is the InChIKey of 3-(1-benzylindol-2-yl)propan-1-amine?
The InChIKey is BVLYBLBLYJKZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2/c19-12-6-10-17-13-16-9-4-5-11-18(16)20(17)14-15-7-2-1-3-8-15/h1-5,7-9,11,13H,6,10,12,14,19H2.
What are the key properties of 3-(1-benzylindol-2-yl)propan-1-amine?
3-(1-benzylindol-2-yl)propan-1-amine has a molecular weight of 264.37 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylindol-2-yl)propan-1-amine is sourced from PubChem (CID 115107392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).