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

C14H20ClFN2 — CID 83068982

IUPAC4-N-[1-(4-chloro-3-fluorophenyl)ethyl]cyclohexane-1,4-diamine
SMILESCC(NC1CCC(N)CC1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C14H20ClFN2/c1-9(10-2-7-13(15)14(16)8-10)18-12-5-3-11(17)4-6-12/h2,7-9,11-12,18H,3-6,17H2,1H3
InChIKeyBLSNSDBEAJVWDQ-UHFFFAOYSA-N
MW270.78 g/mol
LogP3.40
Rot. Bonds3

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

4-N-[1-(4-chloro-3-fluorophenyl)ethyl]cyclohexane-1,4-diamine (PubChem CID 83068982) has the molecular formula C14H20ClFN2 and a molecular weight of 270.78 g/mol. Its IUPAC name is 4-N-[1-(4-chloro-3-fluorophenyl)ethyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[1-(4-chloro-3-fluorophenyl)ethyl]cyclohexane-1,4-diamine
PubChem CID83068982
Molecular FormulaC14H20ClFN2
Molecular Weight270.78 g/mol
Exact Mass270.13
IUPAC Name4-N-[1-(4-chloro-3-fluorophenyl)ethyl]cyclohexane-1,4-diamine
SMILESCC(NC1CCC(N)CC1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C14H20ClFN2/c1-9(10-2-7-13(15)14(16)8-10)18-12-5-3-11(17)4-6-12/h2,7-9,11-12,18H,3-6,17H2,1H3
InChIKeyBLSNSDBEAJVWDQ-UHFFFAOYSA-N
XLogP3.40
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.78
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 107849957
4-N-[1-(3-chlorophenyl)ethyl]cyclohexane-1,4-diamine
CID 62313851
5-[1-(4-chloro-3-fluorophenyl)ethylamino]-1-methylpiperidin-2-one
CID 82993684
4-[(1S)-1-(cyclopentylamino)ethyl]-2-fluoroaniline
CID 29038584
4-N-[1-(2,6-difluorophenyl)ethyl]cyclohexane-1,4-diamine
CID 62314218
N-[1-(3,4-dichlorophenyl)ethyl]cyclohexanamine
CID 43078885
N-[1-(3,4-difluorophenyl)ethyl]cycloheptanamine
CID 43081886
3-N-[1-(4-chlorophenyl)ethyl]cyclopentane-1,3-diamine
CID 79462351
N-[(1R)-1-(4-chloro-3-fluorophenyl)ethyl]hydroxylamine
CID 130054500
N-[1-(4-chloro-3-fluorophenyl)ethyl]propan-2-amine
CID 59146352
3-[1-(4-chloro-3-fluorophenyl)ethylamino]-1-methylpyrrolidin-2-one
CID 103878453
1-N-[1-(3-fluoro-4-methylphenyl)ethyl]cyclobutane-1,3-diamine
CID 80562217

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(4-chloro-3-fluorophenyl)ethyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[1-(4-chloro-3-fluorophenyl)ethyl]cyclohexane-1,4-diamine (CID 83068982) is 4-N-[1-(4-chloro-3-fluorophenyl)ethyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[1-(4-chloro-3-fluorophenyl)ethyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[1-(4-chloro-3-fluorophenyl)ethyl]cyclohexane-1,4-diamine is CC(NC1CCC(N)CC1)c1ccc(Cl)c(F)c1.
What is the InChIKey of 4-N-[1-(4-chloro-3-fluorophenyl)ethyl]cyclohexane-1,4-diamine?
The InChIKey is BLSNSDBEAJVWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2/c1-9(10-2-7-13(15)14(16)8-10)18-12-5-3-11(17)4-6-12/h2,7-9,11-12,18H,3-6,17H2,1H3.
What are the key properties of 4-N-[1-(4-chloro-3-fluorophenyl)ethyl]cyclohexane-1,4-diamine?
4-N-[1-(4-chloro-3-fluorophenyl)ethyl]cyclohexane-1,4-diamine has a molecular weight of 270.78 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(4-chloro-3-fluorophenyl)ethyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 83068982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).