1-(4-cyclopropylphenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine

C17H22N2O — CID 79984790

IUPAC1-(4-cyclopropylphenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine
SMILESCN(Cc1ccoc1)C(CN)c1ccc(C2CC2)cc1
InChIInChI=1S/C17H22N2O/c1-19(11-13-8-9-20-12-13)17(10-18)16-6-4-15(5-7-16)14-2-3-14/h4-9,12,14,17H,2-3,10-11,18H2,1H3
InChIKeyFFNFOIZFIDCNDT-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.29
Rot. Bonds6

About 1-(4-cyclopropylphenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine

1-(4-cyclopropylphenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine (PubChem CID 79984790) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-(4-cyclopropylphenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-cyclopropylphenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine
PubChem CID79984790
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-(4-cyclopropylphenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine
SMILESCN(Cc1ccoc1)C(CN)c1ccc(C2CC2)cc1
InChIInChI=1S/C17H22N2O/c1-19(11-13-8-9-20-12-13)17(10-18)16-6-4-15(5-7-16)14-2-3-14/h4-9,12,14,17H,2-3,10-11,18H2,1H3
InChIKeyFFNFOIZFIDCNDT-UHFFFAOYSA-N
XLogP3.29
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-cyclopropylphenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine 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-benzyl-N-(cyclobutylmethyl)-2-[1-(3-furylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 16190406
2-methyl-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]furan-3-carboxamide
CID 24817618
N-(4-ethylbenzyl)-2-[1-(3-furylmethyl)-3-oxopiperazin-2-yl]-N-methylacetamide
CID 16191207
N-[1-(4-isobutylbenzyl)-3-piperidinyl]-3-furamide
CID 24791543
N-[cyclopropyl(phenyl)methyl]furan-3-carboxamide
CID 42929298
N-[2-[[2-(dimethylamino)-2-(4-methylphenyl)ethyl]amino]-2-oxoethyl]furan-3-carboxamide
CID 51096084
N-[1-oxo-1-(3-phenylbutylamino)propan-2-yl]furan-3-carboxamide
CID 51103926
N-[2-(4-fluorophenyl)-1,1-dimethylethyl]-2-[1-(3-furylmethyl)-3-oxo-2-piperazinyl]acetamide
CID 56884528
N-[(3S*,4R*)-1-(2-methyl-3-furoyl)-4-(4-methylphenyl)-3-pyrrolidinyl]cyclopropanecarboxamide
CID 70733657
N-[(3S*,4R*)-1-(3-furoyl)-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide
CID 72849374
2-(4-Cyanophenyl)-2-[ethyl(furan-3-ylmethyl)amino]acetamide
CID 75386133
3-(Furan-3-ylmethyl)-9-[(4-methylphenyl)methyl]-3,9-diazaspiro[5.5]undecane
CID 97370650

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropylphenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine?
The IUPAC name of 1-(4-cyclopropylphenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine (CID 79984790) is 1-(4-cyclopropylphenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-(4-cyclopropylphenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine?
The canonical SMILES for 1-(4-cyclopropylphenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine is CN(Cc1ccoc1)C(CN)c1ccc(C2CC2)cc1.
What is the InChIKey of 1-(4-cyclopropylphenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine?
The InChIKey is FFNFOIZFIDCNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-19(11-13-8-9-20-12-13)17(10-18)16-6-4-15(5-7-16)14-2-3-14/h4-9,12,14,17H,2-3,10-11,18H2,1H3.
What are the key properties of 1-(4-cyclopropylphenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine?
1-(4-cyclopropylphenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine has a molecular weight of 270.38 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropylphenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 79984790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).