[1-(2-chloro-3,5-difluorophenyl)cyclohexyl]methanamine

C13H16ClF2N — CID 117403554

IUPAC[1-(2-chloro-3,5-difluorophenyl)cyclohexyl]methanamine
SMILESNCC1(c2cc(F)cc(F)c2Cl)CCCCC1
InChIInChI=1S/C13H16ClF2N/c14-12-10(6-9(15)7-11(12)16)13(8-17)4-2-1-3-5-13/h6-7H,1-5,8,17H2
InChIKeyUPBRNBPOYCWEQN-UHFFFAOYSA-N
MW259.73 g/mol
LogP3.78
Rot. Bonds2

About [1-(2-chloro-3,5-difluorophenyl)cyclohexyl]methanamine

[1-(2-chloro-3,5-difluorophenyl)cyclohexyl]methanamine (PubChem CID 117403554) has the molecular formula C13H16ClF2N and a molecular weight of 259.73 g/mol. Its IUPAC name is [1-(2-chloro-3,5-difluorophenyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(2-chloro-3,5-difluorophenyl)cyclohexyl]methanamine
PubChem CID117403554
Molecular FormulaC13H16ClF2N
Molecular Weight259.73 g/mol
Exact Mass259.09
IUPAC Name[1-(2-chloro-3,5-difluorophenyl)cyclohexyl]methanamine
SMILESNCC1(c2cc(F)cc(F)c2Cl)CCCCC1
InChIInChI=1S/C13H16ClF2N/c14-12-10(6-9(15)7-11(12)16)13(8-17)4-2-1-3-5-13/h6-7H,1-5,8,17H2
InChIKeyUPBRNBPOYCWEQN-UHFFFAOYSA-N
XLogP3.78
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.73
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

[1-(2-chloro-5-fluoro-3-methoxyphenyl)cyclopentyl]methanamine
CID 117397977
2-[1-(aminomethyl)cyclopentyl]-6-chloro-4-fluorophenol
CID 84802258
4-[1-(aminomethyl)cyclohexyl]-2-chloro-5-fluorophenol
CID 117397912
2-[1-(aminomethyl)cyclopentyl]-4-fluorophenol
CID 82612123
2-[1-(aminomethyl)cyclopentyl]-4-fluoroaniline
CID 117047242
[1-(2,5-difluoro-3-methoxyphenyl)cyclopentyl]methanamine
CID 117355086
[1-(5-chloro-4-fluoro-2-methylphenyl)cyclopentyl]methanamine
CID 117356576
[1-(4-chloro-2,6-difluorophenyl)cyclopentyl]methanamine
CID 117366660
[1-(5-chloro-4-fluoro-2-methoxyphenyl)cyclohexyl]methanamine
CID 117432368
2-[1-(aminomethyl)cyclopentyl]-4,5-difluorophenol
CID 84791404
[1-(5-fluoro-1-benzofuran-7-yl)cyclopentyl]methanamine
CID 117338306
[1-(2-chloro-3-fluoro-4-methylphenyl)cyclopentyl]methanamine
CID 117356566

Frequently Asked Questions

What is the IUPAC name of [1-(2-chloro-3,5-difluorophenyl)cyclohexyl]methanamine?
The IUPAC name of [1-(2-chloro-3,5-difluorophenyl)cyclohexyl]methanamine (CID 117403554) is [1-(2-chloro-3,5-difluorophenyl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(2-chloro-3,5-difluorophenyl)cyclohexyl]methanamine?
The canonical SMILES for [1-(2-chloro-3,5-difluorophenyl)cyclohexyl]methanamine is NCC1(c2cc(F)cc(F)c2Cl)CCCCC1.
What is the InChIKey of [1-(2-chloro-3,5-difluorophenyl)cyclohexyl]methanamine?
The InChIKey is UPBRNBPOYCWEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF2N/c14-12-10(6-9(15)7-11(12)16)13(8-17)4-2-1-3-5-13/h6-7H,1-5,8,17H2.
What are the key properties of [1-(2-chloro-3,5-difluorophenyl)cyclohexyl]methanamine?
[1-(2-chloro-3,5-difluorophenyl)cyclohexyl]methanamine has a molecular weight of 259.73 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chloro-3,5-difluorophenyl)cyclohexyl]methanamine is sourced from PubChem (CID 117403554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).