1-(2-fluorophenyl)-N'-methyl-N'-(4-methylcyclohexyl)propane-1,3-diamine

C17H27FN2 — CID 62643010

IUPAC1-(2-fluorophenyl)-N'-methyl-N'-(4-methylcyclohexyl)propane-1,3-diamine
SMILESCC1CCC(N(C)CCC(N)c2ccccc2F)CC1
InChIInChI=1S/C17H27FN2/c1-13-7-9-14(10-8-13)20(2)12-11-17(19)15-5-3-4-6-16(15)18/h3-6,13-14,17H,7-12,19H2,1-2H3
InChIKeyYLPNZZHNJSFNAW-UHFFFAOYSA-N
MW278.41 g/mol
LogP3.73
Rot. Bonds5

About 1-(2-fluorophenyl)-N'-methyl-N'-(4-methylcyclohexyl)propane-1,3-diamine

1-(2-fluorophenyl)-N'-methyl-N'-(4-methylcyclohexyl)propane-1,3-diamine (PubChem CID 62643010) has the molecular formula C17H27FN2 and a molecular weight of 278.41 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N'-methyl-N'-(4-methylcyclohexyl)propane-1,3-diamine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N'-methyl-N'-(4-methylcyclohexyl)propane-1,3-diamine
PubChem CID62643010
Molecular FormulaC17H27FN2
Molecular Weight278.41 g/mol
Exact Mass278.22
IUPAC Name1-(2-fluorophenyl)-N'-methyl-N'-(4-methylcyclohexyl)propane-1,3-diamine
SMILESCC1CCC(N(C)CCC(N)c2ccccc2F)CC1
InChIInChI=1S/C17H27FN2/c1-13-7-9-14(10-8-13)20(2)12-11-17(19)15-5-3-4-6-16(15)18/h3-6,13-14,17H,7-12,19H2,1-2H3
InChIKeyYLPNZZHNJSFNAW-UHFFFAOYSA-N
XLogP3.73
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.41
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-fluorophenyl)-N'-methyl-N'-(4-methylcyclohexyl)propane-1,3-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'-butyl-N'-cyclopropyl-1-(2-fluorophenyl)propane-1,3-diamine
CID 62645216
N'-cyclopropyl-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine
CID 62630764
1-(2-fluorophenyl)-N',N'-dimethylpropane-1,3-diamine
CID 62644975
N'-cyclohexyl-1-(2-fluorophenyl)-N'-methylethane-1,2-diamine
CID 16786425
3-[[3-amino-3-(2-fluorophenyl)propyl]-cyclobutylamino]propan-1-ol
CID 102870739
N'-[2-(dimethylamino)ethyl]-1-(2-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 63699831
1-(2-fluorophenyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 16786319
1-(2-fluorophenyl)-N'-methyl-N'-pentylpropane-1,3-diamine
CID 62645170
N'-methyl-1-(2-methylphenyl)-N'-(oxan-4-yl)propane-1,3-diamine
CID 62629255
1-(2-chlorophenyl)-N'-methyl-N'-(3-methylcyclohexyl)propane-1,3-diamine
CID 62642958
1-(2-fluorophenyl)-N'-methyl-N'-(2-phenylethyl)propane-1,3-diamine
CID 65487482
N'-cyclopropyl-1-(2-methylphenyl)-N'-propylpropane-1,3-diamine
CID 55098071

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N'-methyl-N'-(4-methylcyclohexyl)propane-1,3-diamine?
The IUPAC name of 1-(2-fluorophenyl)-N'-methyl-N'-(4-methylcyclohexyl)propane-1,3-diamine (CID 62643010) is 1-(2-fluorophenyl)-N'-methyl-N'-(4-methylcyclohexyl)propane-1,3-diamine.
What is the SMILES notation for 1-(2-fluorophenyl)-N'-methyl-N'-(4-methylcyclohexyl)propane-1,3-diamine?
The canonical SMILES for 1-(2-fluorophenyl)-N'-methyl-N'-(4-methylcyclohexyl)propane-1,3-diamine is CC1CCC(N(C)CCC(N)c2ccccc2F)CC1.
What is the InChIKey of 1-(2-fluorophenyl)-N'-methyl-N'-(4-methylcyclohexyl)propane-1,3-diamine?
The InChIKey is YLPNZZHNJSFNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-13-7-9-14(10-8-13)20(2)12-11-17(19)15-5-3-4-6-16(15)18/h3-6,13-14,17H,7-12,19H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-N'-methyl-N'-(4-methylcyclohexyl)propane-1,3-diamine?
1-(2-fluorophenyl)-N'-methyl-N'-(4-methylcyclohexyl)propane-1,3-diamine has a molecular weight of 278.41 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N'-methyl-N'-(4-methylcyclohexyl)propane-1,3-diamine is sourced from PubChem (CID 62643010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).