N-(2-chloro-4-fluorophenyl)-4-propylcycloheptan-1-amine

C16H23ClFN — CID 65086683

IUPACN-(2-chloro-4-fluorophenyl)-4-propylcycloheptan-1-amine
SMILESCCCC1CCCC(Nc2ccc(F)cc2Cl)CC1
InChIInChI=1S/C16H23ClFN/c1-2-4-12-5-3-6-14(9-7-12)19-16-10-8-13(18)11-15(16)17/h8,10-12,14,19H,2-7,9H2,1H3
InChIKeySLICHEWYLSZBNA-UHFFFAOYSA-N
MW283.82 g/mol
LogP5.64
Rot. Bonds4

About N-(2-chloro-4-fluorophenyl)-4-propylcycloheptan-1-amine

N-(2-chloro-4-fluorophenyl)-4-propylcycloheptan-1-amine (PubChem CID 65086683) has the molecular formula C16H23ClFN and a molecular weight of 283.82 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-4-propylcycloheptan-1-amine.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-4-propylcycloheptan-1-amine
PubChem CID65086683
Molecular FormulaC16H23ClFN
Molecular Weight283.82 g/mol
Exact Mass283.15
IUPAC NameN-(2-chloro-4-fluorophenyl)-4-propylcycloheptan-1-amine
SMILESCCCC1CCCC(Nc2ccc(F)cc2Cl)CC1
InChIInChI=1S/C16H23ClFN/c1-2-4-12-5-3-6-14(9-7-12)19-16-10-8-13(18)11-15(16)17/h8,10-12,14,19H,2-7,9H2,1H3
InChIKeySLICHEWYLSZBNA-UHFFFAOYSA-N
XLogP5.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.82
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-fluoro-2-N-(4-propylcyclohexyl)benzene-1,2-diamine
CID 62376796
N-(3-chloro-2-methylphenyl)-4-propylcycloheptan-1-amine
CID 65087052
N-(2-chloro-4-iodophenyl)-4-ethylcycloheptan-1-amine
CID 65083669
1-N-(2-chloro-4-fluorophenyl)cyclohexane-1,3-diamine
CID 79459216
4-ethyl-N-(4-fluoro-2-iodophenyl)cycloheptan-1-amine
CID 79768490
2-chloro-4-fluoro-N-(3-methylcyclopentyl)aniline
CID 64502485
3-chloro-2-N,2-N-dimethyl-1-N-(4-propylcycloheptyl)benzene-1,2-diamine
CID 65086873
N-(3-fluoro-2-methylphenyl)-4-propylcycloheptan-1-amine
CID 65091174
N-(2,5-dimethylphenyl)-4-propylcycloheptan-1-amine
CID 65087525
N-(4-chloro-2-fluorophenyl)-4-ethylcycloheptan-1-amine
CID 65084049
N-(2-chloro-4-fluorophenyl)-1-methylazepan-4-amine
CID 65071350
N-(2,6-difluorophenyl)-4-propylcycloheptan-1-amine
CID 65086344

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-4-propylcycloheptan-1-amine?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-4-propylcycloheptan-1-amine (CID 65086683) is N-(2-chloro-4-fluorophenyl)-4-propylcycloheptan-1-amine.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-4-propylcycloheptan-1-amine?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-4-propylcycloheptan-1-amine is CCCC1CCCC(Nc2ccc(F)cc2Cl)CC1.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-4-propylcycloheptan-1-amine?
The InChIKey is SLICHEWYLSZBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClFN/c1-2-4-12-5-3-6-14(9-7-12)19-16-10-8-13(18)11-15(16)17/h8,10-12,14,19H,2-7,9H2,1H3.
What are the key properties of N-(2-chloro-4-fluorophenyl)-4-propylcycloheptan-1-amine?
N-(2-chloro-4-fluorophenyl)-4-propylcycloheptan-1-amine has a molecular weight of 283.82 g/mol, XLogP of 5.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-4-propylcycloheptan-1-amine is sourced from PubChem (CID 65086683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).