4-N-[1-(4-fluorophenyl)propan-2-yl]cyclohexane-1,4-diamine

C15H23FN2 — CID 79741782

IUPAC4-N-[1-(4-fluorophenyl)propan-2-yl]cyclohexane-1,4-diamine
SMILESCC(Cc1ccc(F)cc1)NC1CCC(N)CC1
InChIInChI=1S/C15H23FN2/c1-11(10-12-2-4-13(16)5-3-12)18-15-8-6-14(17)7-9-15/h2-5,11,14-15,18H,6-10,17H2,1H3
InChIKeyJYJVOBSIHCKSAL-UHFFFAOYSA-N
MW250.36 g/mol
LogP2.62
Rot. Bonds4

About 4-N-[1-(4-fluorophenyl)propan-2-yl]cyclohexane-1,4-diamine

4-N-[1-(4-fluorophenyl)propan-2-yl]cyclohexane-1,4-diamine (PubChem CID 79741782) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 4-N-[1-(4-fluorophenyl)propan-2-yl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[1-(4-fluorophenyl)propan-2-yl]cyclohexane-1,4-diamine
PubChem CID79741782
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name4-N-[1-(4-fluorophenyl)propan-2-yl]cyclohexane-1,4-diamine
SMILESCC(Cc1ccc(F)cc1)NC1CCC(N)CC1
InChIInChI=1S/C15H23FN2/c1-11(10-12-2-4-13(16)5-3-12)18-15-8-6-14(17)7-9-15/h2-5,11,14-15,18H,6-10,17H2,1H3
InChIKeyJYJVOBSIHCKSAL-UHFFFAOYSA-N
XLogP2.62
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[1-(4-fluorophenyl)propan-2-yl]cyclobutane-1,3-diamine
CID 80562355
N-[1-(4-fluorophenyl)propan-2-yl]cyclooctanamine
CID 63464519
N-[1-(4-fluorophenyl)propan-2-yl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 64753673
N-[1-(4-fluorophenyl)propan-2-yl]-4-propan-2-ylcycloheptan-1-amine
CID 65091426
N-[1-(4-fluorophenyl)propan-2-yl]-3-methylcyclobutan-1-amine
CID 115892356
N-[1-(4-fluorophenyl)propan-2-yl]-1-methylazepan-4-amine
CID 65074925
N-[1-(4-propan-2-ylphenyl)propan-2-yl]cyclopropanamine
CID 82262582
N-[1-(4-fluorophenyl)propan-2-yl]piperidin-3-amine
CID 62997030
3-ethylsulfanyl-N-[1-(4-fluorophenyl)propan-2-yl]cyclopentan-1-amine
CID 103787278
N-[1-(4-fluorophenyl)propan-2-yl]-3-methoxycyclobutan-1-amine
CID 113429558
4-N-[1-(3-chlorophenyl)propan-2-yl]cyclohexane-1,4-diamine
CID 79724820
N-[1-(3-fluorophenyl)propan-2-yl]cyclopropanamine
CID 115704573

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(4-fluorophenyl)propan-2-yl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[1-(4-fluorophenyl)propan-2-yl]cyclohexane-1,4-diamine (CID 79741782) is 4-N-[1-(4-fluorophenyl)propan-2-yl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[1-(4-fluorophenyl)propan-2-yl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[1-(4-fluorophenyl)propan-2-yl]cyclohexane-1,4-diamine is CC(Cc1ccc(F)cc1)NC1CCC(N)CC1.
What is the InChIKey of 4-N-[1-(4-fluorophenyl)propan-2-yl]cyclohexane-1,4-diamine?
The InChIKey is JYJVOBSIHCKSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-11(10-12-2-4-13(16)5-3-12)18-15-8-6-14(17)7-9-15/h2-5,11,14-15,18H,6-10,17H2,1H3.
What are the key properties of 4-N-[1-(4-fluorophenyl)propan-2-yl]cyclohexane-1,4-diamine?
4-N-[1-(4-fluorophenyl)propan-2-yl]cyclohexane-1,4-diamine has a molecular weight of 250.36 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(4-fluorophenyl)propan-2-yl]cyclohexane-1,4-diamine is sourced from PubChem (CID 79741782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).