N-[(5-methyl-1-benzofuran-2-yl)-phenylmethyl]propan-1-amine

C19H21NO — CID 114727860

IUPACN-[(5-methyl-1-benzofuran-2-yl)-phenylmethyl]propan-1-amine
SMILESCCCNC(c1ccccc1)c1cc2cc(C)ccc2o1
InChIInChI=1S/C19H21NO/c1-3-11-20-19(15-7-5-4-6-8-15)18-13-16-12-14(2)9-10-17(16)21-18/h4-10,12-13,19-20H,3,11H2,1-2H3
InChIKeyAZYMWRIKEMXCEA-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.83
Rot. Bonds5

About N-[(5-methyl-1-benzofuran-2-yl)-phenylmethyl]propan-1-amine

N-[(5-methyl-1-benzofuran-2-yl)-phenylmethyl]propan-1-amine (PubChem CID 114727860) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[(5-methyl-1-benzofuran-2-yl)-phenylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-methyl-1-benzofuran-2-yl)-phenylmethyl]propan-1-amine
PubChem CID114727860
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC NameN-[(5-methyl-1-benzofuran-2-yl)-phenylmethyl]propan-1-amine
SMILESCCCNC(c1ccccc1)c1cc2cc(C)ccc2o1
InChIInChI=1S/C19H21NO/c1-3-11-20-19(15-7-5-4-6-8-15)18-13-16-12-14(2)9-10-17(16)21-18/h4-10,12-13,19-20H,3,11H2,1-2H3
InChIKeyAZYMWRIKEMXCEA-UHFFFAOYSA-N
XLogP4.83
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(5-methyl-1-benzofuran-2-yl)-phenylmethyl]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

N-[(5-methyl-1-benzofuran-2-yl)-pyridin-3-ylmethyl]propan-1-amine
CID 114727737
N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-phenylmethanamine
CID 114727848
N-[(5-bromofuran-2-yl)-(5-methyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 105045147
N-[(5-methyl-1-benzofuran-2-yl)-(4-methylthiophen-3-yl)methyl]propan-1-amine
CID 114730144
2,3-dimethyl-1-(5-methyl-1-benzofuran-2-yl)-N-propylbutan-1-amine
CID 105045138
N-[(5-methyl-1-benzofuran-2-yl)-(1,3-thiazol-5-yl)methyl]propan-1-amine
CID 114730213
N-[(R)-(4-methylphenyl)-phenylmethyl]propan-1-amine
CID 93032197
1-(5-methyl-1-benzofuran-2-yl)-N-propylprop-2-yn-1-amine
CID 105158225
N-[1H-imidazol-2-yl-(5-methyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 114730166
N-[(3-bromothiophen-2-yl)-(5-methyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 105045202
N-[1-benzofuran-2-yl-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 115374532
1-(5-methyl-1-benzofuran-2-yl)-2-phenylbutan-1-amine
CID 105045260

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1-benzofuran-2-yl)-phenylmethyl]propan-1-amine?
The IUPAC name of N-[(5-methyl-1-benzofuran-2-yl)-phenylmethyl]propan-1-amine (CID 114727860) is N-[(5-methyl-1-benzofuran-2-yl)-phenylmethyl]propan-1-amine.
What is the SMILES notation for N-[(5-methyl-1-benzofuran-2-yl)-phenylmethyl]propan-1-amine?
The canonical SMILES for N-[(5-methyl-1-benzofuran-2-yl)-phenylmethyl]propan-1-amine is CCCNC(c1ccccc1)c1cc2cc(C)ccc2o1.
What is the InChIKey of N-[(5-methyl-1-benzofuran-2-yl)-phenylmethyl]propan-1-amine?
The InChIKey is AZYMWRIKEMXCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-3-11-20-19(15-7-5-4-6-8-15)18-13-16-12-14(2)9-10-17(16)21-18/h4-10,12-13,19-20H,3,11H2,1-2H3.
What are the key properties of N-[(5-methyl-1-benzofuran-2-yl)-phenylmethyl]propan-1-amine?
N-[(5-methyl-1-benzofuran-2-yl)-phenylmethyl]propan-1-amine has a molecular weight of 279.38 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1-benzofuran-2-yl)-phenylmethyl]propan-1-amine is sourced from PubChem (CID 114727860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).