4-(furan-2-yl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine

C17H23NO — CID 62312823

IUPAC4-(furan-2-yl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine
SMILESCc1cccc(CCNC(C)CCc2ccco2)c1
InChIInChI=1S/C17H23NO/c1-14-5-3-6-16(13-14)10-11-18-15(2)8-9-17-7-4-12-19-17/h3-7,12-13,15,18H,8-11H2,1-2H3
InChIKeyQIZDGFKJDHFVJM-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.74
Rot. Bonds7

About 4-(furan-2-yl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine

4-(furan-2-yl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine (PubChem CID 62312823) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 4-(furan-2-yl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine.

Molecular Properties

Compound Name4-(furan-2-yl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine
PubChem CID62312823
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name4-(furan-2-yl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine
SMILESCc1cccc(CCNC(C)CCc2ccco2)c1
InChIInChI=1S/C17H23NO/c1-14-5-3-6-16(13-14)10-11-18-15(2)8-9-17-7-4-12-19-17/h3-7,12-13,15,18H,8-11H2,1-2H3
InChIKeyQIZDGFKJDHFVJM-UHFFFAOYSA-N
XLogP3.74
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(furan-2-yl)-N-[2-(3-methylphenyl)ethyl]butan-2-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

4-(3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine
CID 63477631
4-(furan-2-yl)-N-[2-(3-methoxyphenyl)ethyl]butan-2-amine
CID 103777711
N-[2-(3-methylphenyl)ethyl]propan-2-amine
CID 62315169
4-(furan-2-yl)-N-[(1R)-1-(3-methylphenyl)ethyl]butan-2-amine
CID 81363511
N'-tert-butyl-N-[4-(furan-2-yl)butan-2-yl]ethane-1,2-diamine
CID 107444697
N-butyl-4-(furan-2-yl)butan-2-amine
CID 43182419
4-(furan-2-yl)-N-[2-(4-nitrophenyl)ethyl]butan-2-amine
CID 61221200
4-(furan-2-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]butan-2-amine
CID 80682006
3-(furan-2-yl)-N-[2-(3-methylphenyl)ethyl]propanamide
CID 110307624
N-[[3-(difluoromethyl)phenyl]methyl]-4-(furan-2-yl)butan-2-amine
CID 115526047
4-(3-methylphenyl)-N-(3-phenylpropyl)butan-2-amine
CID 63420680
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-(3-methylphenyl)butan-2-amine
CID 106042005

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine?
The IUPAC name of 4-(furan-2-yl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine (CID 62312823) is 4-(furan-2-yl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine.
What is the SMILES notation for 4-(furan-2-yl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine?
The canonical SMILES for 4-(furan-2-yl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine is Cc1cccc(CCNC(C)CCc2ccco2)c1.
What is the InChIKey of 4-(furan-2-yl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine?
The InChIKey is QIZDGFKJDHFVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-14-5-3-6-16(13-14)10-11-18-15(2)8-9-17-7-4-12-19-17/h3-7,12-13,15,18H,8-11H2,1-2H3.
What are the key properties of 4-(furan-2-yl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine?
4-(furan-2-yl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine has a molecular weight of 257.38 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine is sourced from PubChem (CID 62312823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).