N-[1-[4-(1-benzofuran-2-yl)phenyl]ethyl]propan-1-amine

C19H21NO — CID 114732147

IUPACN-[1-[4-(1-benzofuran-2-yl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(-c2cc3ccccc3o2)cc1
InChIInChI=1S/C19H21NO/c1-3-12-20-14(2)15-8-10-16(11-9-15)19-13-17-6-4-5-7-18(17)21-19/h4-11,13-14,20H,3,12H2,1-2H3
InChIKeyXXZUFNQDKOOHLR-UHFFFAOYSA-N
MW279.38 g/mol
LogP5.16
Rot. Bonds5

About N-[1-[4-(1-benzofuran-2-yl)phenyl]ethyl]propan-1-amine

N-[1-[4-(1-benzofuran-2-yl)phenyl]ethyl]propan-1-amine (PubChem CID 114732147) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[1-[4-(1-benzofuran-2-yl)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[4-(1-benzofuran-2-yl)phenyl]ethyl]propan-1-amine
PubChem CID114732147
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC NameN-[1-[4-(1-benzofuran-2-yl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(-c2cc3ccccc3o2)cc1
InChIInChI=1S/C19H21NO/c1-3-12-20-14(2)15-8-10-16(11-9-15)19-13-17-6-4-5-7-18(17)21-19/h4-11,13-14,20H,3,12H2,1-2H3
InChIKeyXXZUFNQDKOOHLR-UHFFFAOYSA-N
XLogP5.16
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.38
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-[4-(1-benzofuran-2-yl)phenyl]ethyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(1-benzofuran-2-yl)-2-chlorophenyl]-N-ethylethanamine
CID 114732213
4-(1-benzofuran-2-yl)-N-ethylaniline
CID 54143610
N-[1-(1-benzofuran-2-yl)ethyl]hexan-1-amine
CID 43080080
N-(1-phenylethyl)propan-1-amine;hydrochloride
CID 16641251
N-[[4-(1-benzofuran-2-yl)-2-fluorophenyl]methyl]propan-1-amine
CID 114732190
(1S)-N-(1-benzofuran-2-ylmethyl)-1-phenylethanamine
CID 28609841
1-(1-benzofuran-2-yl)-N-(2-ethoxyethyl)ethanamine
CID 43403744
2-(4-methoxyphenyl)-1-benzofuran
CID 10727834
5-(1-benzofuran-2-yl)-2-methylbenzenethiol
CID 71213605
3-[1-(1-benzofuran-2-yl)ethylamino]propan-1-ol
CID 43182921
2-[4-(4-methoxyphenyl)phenyl]-1-benzofuran
CID 141017099
4-(1-benzofuran-2-yl)-N,N-diphenylaniline
CID 139080403

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(1-benzofuran-2-yl)phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[4-(1-benzofuran-2-yl)phenyl]ethyl]propan-1-amine (CID 114732147) is N-[1-[4-(1-benzofuran-2-yl)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[4-(1-benzofuran-2-yl)phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[4-(1-benzofuran-2-yl)phenyl]ethyl]propan-1-amine is CCCNC(C)c1ccc(-c2cc3ccccc3o2)cc1.
What is the InChIKey of N-[1-[4-(1-benzofuran-2-yl)phenyl]ethyl]propan-1-amine?
The InChIKey is XXZUFNQDKOOHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-3-12-20-14(2)15-8-10-16(11-9-15)19-13-17-6-4-5-7-18(17)21-19/h4-11,13-14,20H,3,12H2,1-2H3.
What are the key properties of N-[1-[4-(1-benzofuran-2-yl)phenyl]ethyl]propan-1-amine?
N-[1-[4-(1-benzofuran-2-yl)phenyl]ethyl]propan-1-amine has a molecular weight of 279.38 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(1-benzofuran-2-yl)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 114732147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).