N-[2-(furan-2-yl)-1-(3-methylphenyl)ethyl]propan-1-amine

C16H21NO — CID 83176005

IUPACN-[2-(furan-2-yl)-1-(3-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccco1)c1cccc(C)c1
InChIInChI=1S/C16H21NO/c1-3-9-17-16(12-15-8-5-10-18-15)14-7-4-6-13(2)11-14/h4-8,10-11,16-17H,3,9,12H2,1-2H3
InChIKeyGUDVEBCHHMXQSN-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.87
Rot. Bonds6

About N-[2-(furan-2-yl)-1-(3-methylphenyl)ethyl]propan-1-amine

N-[2-(furan-2-yl)-1-(3-methylphenyl)ethyl]propan-1-amine (PubChem CID 83176005) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-1-(3-methylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-1-(3-methylphenyl)ethyl]propan-1-amine
PubChem CID83176005
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC NameN-[2-(furan-2-yl)-1-(3-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccco1)c1cccc(C)c1
InChIInChI=1S/C16H21NO/c1-3-9-17-16(12-15-8-5-10-18-15)14-7-4-6-13(2)11-14/h4-8,10-11,16-17H,3,9,12H2,1-2H3
InChIKeyGUDVEBCHHMXQSN-UHFFFAOYSA-N
XLogP3.87
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(furan-2-yl)-1-(3-methylphenyl)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

N-[2-(furan-2-yl)-1-(3-methoxyphenyl)ethyl]propan-1-amine
CID 83174801
N-[1-(4-fluoro-3-methylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 83175003
N-[2-(furan-2-yl)-1-pyridin-4-ylethyl]propan-1-amine
CID 83175594
N-[1-(4-bromophenyl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 83176193
1-(3,5-dimethylphenyl)-3-(furan-2-yl)-N-propylpropan-1-amine
CID 105097322
N-[1-(4-ethylsulfanylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 106849283
4-[2-(furan-2-yl)-1-(propylamino)ethyl]-N,N-dimethylaniline
CID 105177373
N-[1-(3-methylphenyl)-2-methylsulfanylethyl]propan-1-amine
CID 62693018
3-(furan-2-yl)-2-(3-methylphenyl)-N-propan-2-ylpropan-1-amine
CID 79416571
N-[2-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 105029239
3,3-dimethyl-1-(3-methylphenyl)-N-propylbutan-1-amine
CID 63889825
N-[1-(2-bromo-3-methylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 107985335

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-1-(3-methylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(furan-2-yl)-1-(3-methylphenyl)ethyl]propan-1-amine (CID 83176005) is N-[2-(furan-2-yl)-1-(3-methylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(furan-2-yl)-1-(3-methylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(furan-2-yl)-1-(3-methylphenyl)ethyl]propan-1-amine is CCCNC(Cc1ccco1)c1cccc(C)c1.
What is the InChIKey of N-[2-(furan-2-yl)-1-(3-methylphenyl)ethyl]propan-1-amine?
The InChIKey is GUDVEBCHHMXQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-3-9-17-16(12-15-8-5-10-18-15)14-7-4-6-13(2)11-14/h4-8,10-11,16-17H,3,9,12H2,1-2H3.
What are the key properties of N-[2-(furan-2-yl)-1-(3-methylphenyl)ethyl]propan-1-amine?
N-[2-(furan-2-yl)-1-(3-methylphenyl)ethyl]propan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-1-(3-methylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 83176005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).