1-N-[1-(4-fluorophenyl)ethyl]cyclohexane-1,3-diamine

C14H21FN2 — CID 79459404

IUPAC1-N-[1-(4-fluorophenyl)ethyl]cyclohexane-1,3-diamine
SMILESCC(NC1CCCC(N)C1)c1ccc(F)cc1
InChIInChI=1S/C14H21FN2/c1-10(11-5-7-12(15)8-6-11)17-14-4-2-3-13(16)9-14/h5-8,10,13-14,17H,2-4,9,16H2,1H3
InChIKeyRYCNDFNTVXVKHW-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.75
Rot. Bonds3

About 1-N-[1-(4-fluorophenyl)ethyl]cyclohexane-1,3-diamine

1-N-[1-(4-fluorophenyl)ethyl]cyclohexane-1,3-diamine (PubChem CID 79459404) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 1-N-[1-(4-fluorophenyl)ethyl]cyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N-[1-(4-fluorophenyl)ethyl]cyclohexane-1,3-diamine
PubChem CID79459404
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name1-N-[1-(4-fluorophenyl)ethyl]cyclohexane-1,3-diamine
SMILESCC(NC1CCCC(N)C1)c1ccc(F)cc1
InChIInChI=1S/C14H21FN2/c1-10(11-5-7-12(15)8-6-11)17-14-4-2-3-13(16)9-14/h5-8,10,13-14,17H,2-4,9,16H2,1H3
InChIKeyRYCNDFNTVXVKHW-UHFFFAOYSA-N
XLogP2.75
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-N-[1-(4-fluorophenyl)ethyl]cyclohexane-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

3-N-[(1S)-1-(4-fluorophenyl)ethyl]cyclopentane-1,3-diamine
CID 81348443
3-[1-(4-fluorophenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 65066345
3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]cyclohexane-1-carboxylic acid
CID 104881581
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-methylcyclopentan-1-amine
CID 81351515
1-N-[1-(3,4-dimethoxyphenyl)ethyl]cyclohexane-1,3-diamine
CID 79459154
3-N-[1-(4-methylsulfanylphenyl)ethyl]cyclopentane-1,3-diamine
CID 79461227
3-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 81349509
1-N-[1-(1,3-benzodioxol-5-yl)ethyl]cyclohexane-1,3-diamine
CID 79458936
3-N-[1-(4-chlorophenyl)ethyl]cyclopentane-1,3-diamine
CID 79462351
N-[1-(4-fluorophenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 64723418
N-[(1R)-1-(4-fluorophenyl)ethyl]piperidin-4-amine
CID 54000637
N-[(1R)-1-(4-fluorophenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 81348393

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(4-fluorophenyl)ethyl]cyclohexane-1,3-diamine?
The IUPAC name of 1-N-[1-(4-fluorophenyl)ethyl]cyclohexane-1,3-diamine (CID 79459404) is 1-N-[1-(4-fluorophenyl)ethyl]cyclohexane-1,3-diamine.
What is the SMILES notation for 1-N-[1-(4-fluorophenyl)ethyl]cyclohexane-1,3-diamine?
The canonical SMILES for 1-N-[1-(4-fluorophenyl)ethyl]cyclohexane-1,3-diamine is CC(NC1CCCC(N)C1)c1ccc(F)cc1.
What is the InChIKey of 1-N-[1-(4-fluorophenyl)ethyl]cyclohexane-1,3-diamine?
The InChIKey is RYCNDFNTVXVKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-10(11-5-7-12(15)8-6-11)17-14-4-2-3-13(16)9-14/h5-8,10,13-14,17H,2-4,9,16H2,1H3.
What are the key properties of 1-N-[1-(4-fluorophenyl)ethyl]cyclohexane-1,3-diamine?
1-N-[1-(4-fluorophenyl)ethyl]cyclohexane-1,3-diamine has a molecular weight of 236.33 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(4-fluorophenyl)ethyl]cyclohexane-1,3-diamine is sourced from PubChem (CID 79459404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).