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

C17H23NO — CID 62387853

IUPACN-[1-(3-methylfuran-2-yl)-2-(3-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(C)c1)c1occc1C
InChIInChI=1S/C17H23NO/c1-4-9-18-16(17-14(3)8-10-19-17)12-15-7-5-6-13(2)11-15/h5-8,10-11,16,18H,4,9,12H2,1-3H3
InChIKeyVSXLBHURZSNEER-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.18
Rot. Bonds6

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

N-[1-(3-methylfuran-2-yl)-2-(3-methylphenyl)ethyl]propan-1-amine (PubChem CID 62387853) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[1-(3-methylfuran-2-yl)-2-(3-methylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-methylfuran-2-yl)-2-(3-methylphenyl)ethyl]propan-1-amine
PubChem CID62387853
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC NameN-[1-(3-methylfuran-2-yl)-2-(3-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(C)c1)c1occc1C
InChIInChI=1S/C17H23NO/c1-4-9-18-16(17-14(3)8-10-19-17)12-15-7-5-6-13(2)11-15/h5-8,10-11,16,18H,4,9,12H2,1-3H3
InChIKeyVSXLBHURZSNEER-UHFFFAOYSA-N
XLogP4.18
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(3-methylfuran-2-yl)-2-(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-(4-ethylphenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine
CID 104806069
N-[2-(3-bromo-4-fluorophenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine
CID 104805826
1-(3-methylfuran-2-yl)-N-propylpropan-1-amine
CID 104805698
N-[2-(5-bromo-3-pyridinyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine
CID 104805696
N-[1-(2,6-difluorophenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 63526394
N-[1-(4-ethylphenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 60819207
N-[1-(4-bromophenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 60818106
N-[2-(4-bromothiophen-2-yl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine
CID 113455397
N-[2-(2-chloro-6-fluorophenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine
CID 61079881
N-[1-(2-fluoro-5-methylphenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 63415224
N-[2-(2,4-dichlorophenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine
CID 104806129
N-[1-(3,4-dichlorophenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 63414967

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylfuran-2-yl)-2-(3-methylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(3-methylfuran-2-yl)-2-(3-methylphenyl)ethyl]propan-1-amine (CID 62387853) is N-[1-(3-methylfuran-2-yl)-2-(3-methylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-methylfuran-2-yl)-2-(3-methylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-methylfuran-2-yl)-2-(3-methylphenyl)ethyl]propan-1-amine is CCCNC(Cc1cccc(C)c1)c1occc1C.
What is the InChIKey of N-[1-(3-methylfuran-2-yl)-2-(3-methylphenyl)ethyl]propan-1-amine?
The InChIKey is VSXLBHURZSNEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-4-9-18-16(17-14(3)8-10-19-17)12-15-7-5-6-13(2)11-15/h5-8,10-11,16,18H,4,9,12H2,1-3H3.
What are the key properties of N-[1-(3-methylfuran-2-yl)-2-(3-methylphenyl)ethyl]propan-1-amine?
N-[1-(3-methylfuran-2-yl)-2-(3-methylphenyl)ethyl]propan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylfuran-2-yl)-2-(3-methylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 62387853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).