4-N-[2-(2-fluorophenyl)ethyl]-4-N-methylcyclohexane-1,4-diamine

C15H23FN2 — CID 115149918

IUPAC4-N-[2-(2-fluorophenyl)ethyl]-4-N-methylcyclohexane-1,4-diamine
SMILESCN(CCc1ccccc1F)C1CCC(N)CC1
InChIInChI=1S/C15H23FN2/c1-18(14-8-6-13(17)7-9-14)11-10-12-4-2-3-5-15(12)16/h2-5,13-14H,6-11,17H2,1H3
InChIKeyCVWYNNSVGSLSGR-UHFFFAOYSA-N
MW250.36 g/mol
LogP2.57
Rot. Bonds4

About 4-N-[2-(2-fluorophenyl)ethyl]-4-N-methylcyclohexane-1,4-diamine

4-N-[2-(2-fluorophenyl)ethyl]-4-N-methylcyclohexane-1,4-diamine (PubChem CID 115149918) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 4-N-[2-(2-fluorophenyl)ethyl]-4-N-methylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[2-(2-fluorophenyl)ethyl]-4-N-methylcyclohexane-1,4-diamine
PubChem CID115149918
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name4-N-[2-(2-fluorophenyl)ethyl]-4-N-methylcyclohexane-1,4-diamine
SMILESCN(CCc1ccccc1F)C1CCC(N)CC1
InChIInChI=1S/C15H23FN2/c1-18(14-8-6-13(17)7-9-14)11-10-12-4-2-3-5-15(12)16/h2-5,13-14H,6-11,17H2,1H3
InChIKeyCVWYNNSVGSLSGR-UHFFFAOYSA-N
XLogP2.57
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-N-[2-(2-fluorophenyl)ethyl]-4-N-methylcyclohexane-1,4-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

4-N-[2-(5-bromo-2-fluorophenyl)ethyl]-4-N-methylcyclohexane-1,4-diamine
CID 115149914
N-methyl-N-[2-(2-methylphenyl)ethyl]cyclopropanamine
CID 67231400
1-[2-(2-fluorophenyl)ethyl]-1-methylhydrazine
CID 46929953
4-N-methyl-4-N-(3-phenylpropyl)cyclohexane-1,4-diamine
CID 79121272
N-[2-(2-fluorophenyl)ethyl]-N,5,5-trimethylpyrrolidin-3-amine
CID 115146101
N-[2-(7-fluoro-1H-indol-3-yl)ethyl]-N-methylcyclopropanamine
CID 67394638
2-(2-fluorophenyl)-N-methyl-N-(pyrrolidin-3-ylmethyl)ethanamine
CID 115209099
4-[2-(2,5-difluorophenyl)ethyl-methylamino]cyclohexan-1-ol
CID 115149605
2-[2-(2-fluorophenyl)ethyl-methylamino]cyclopropane-1-carboxylic acid
CID 117042808
2-[2-[[(4-aminocyclohexyl)-methylamino]methyl]phenyl]acetic acid
CID 115463093
4-N-[2-(3-methoxyphenyl)ethyl]-4-N-methylcyclohexane-1,4-diamine
CID 115149922
N-[2-(8-fluoroindolizin-1-yl)ethyl]-N-methylcyclopentanamine
CID 169203067

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(2-fluorophenyl)ethyl]-4-N-methylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-[2-(2-fluorophenyl)ethyl]-4-N-methylcyclohexane-1,4-diamine (CID 115149918) is 4-N-[2-(2-fluorophenyl)ethyl]-4-N-methylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[2-(2-fluorophenyl)ethyl]-4-N-methylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[2-(2-fluorophenyl)ethyl]-4-N-methylcyclohexane-1,4-diamine is CN(CCc1ccccc1F)C1CCC(N)CC1.
What is the InChIKey of 4-N-[2-(2-fluorophenyl)ethyl]-4-N-methylcyclohexane-1,4-diamine?
The InChIKey is CVWYNNSVGSLSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-18(14-8-6-13(17)7-9-14)11-10-12-4-2-3-5-15(12)16/h2-5,13-14H,6-11,17H2,1H3.
What are the key properties of 4-N-[2-(2-fluorophenyl)ethyl]-4-N-methylcyclohexane-1,4-diamine?
4-N-[2-(2-fluorophenyl)ethyl]-4-N-methylcyclohexane-1,4-diamine has a molecular weight of 250.36 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(2-fluorophenyl)ethyl]-4-N-methylcyclohexane-1,4-diamine is sourced from PubChem (CID 115149918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).