(4,4-difluorocyclohexyl)-(4-fluoro-2-methylphenyl)methanamine

C14H18F3N — CID 105142839

IUPAC(4,4-difluorocyclohexyl)-(4-fluoro-2-methylphenyl)methanamine
SMILESCc1cc(F)ccc1C(N)C1CCC(F)(F)CC1
InChIInChI=1S/C14H18F3N/c1-9-8-11(15)2-3-12(9)13(18)10-4-6-14(16,17)7-5-10/h2-3,8,10,13H,4-7,18H2,1H3
InChIKeyUIZNEILWTIVWPS-UHFFFAOYSA-N
MW257.30 g/mol
LogP3.96
Rot. Bonds2

About (4,4-difluorocyclohexyl)-(4-fluoro-2-methylphenyl)methanamine

(4,4-difluorocyclohexyl)-(4-fluoro-2-methylphenyl)methanamine (PubChem CID 105142839) has the molecular formula C14H18F3N and a molecular weight of 257.30 g/mol. Its IUPAC name is (4,4-difluorocyclohexyl)-(4-fluoro-2-methylphenyl)methanamine.

Molecular Properties

Compound Name(4,4-difluorocyclohexyl)-(4-fluoro-2-methylphenyl)methanamine
PubChem CID105142839
Molecular FormulaC14H18F3N
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC Name(4,4-difluorocyclohexyl)-(4-fluoro-2-methylphenyl)methanamine
SMILESCc1cc(F)ccc1C(N)C1CCC(F)(F)CC1
InChIInChI=1S/C14H18F3N/c1-9-8-11(15)2-3-12(9)13(18)10-4-6-14(16,17)7-5-10/h2-3,8,10,13H,4-7,18H2,1H3
InChIKeyUIZNEILWTIVWPS-UHFFFAOYSA-N
XLogP3.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cyclopentyl-(4-fluoro-2-methylphenyl)methanamine
CID 62790372
(4,4-difluorocyclohexyl)-(4-fluoro-2-methylphenyl)methanol
CID 105093857
1-(4,4-difluorocyclohexyl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 105142852
(R)-(4-fluoro-2-methylphenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314219
1-(4,4-difluorocyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105188329
(2,3-difluoro-4-methylphenyl)-(4,4-dimethylcyclohexyl)methanamine
CID 107513467
(4,4-difluorocyclohexyl)-(3,4-dimethylphenyl)methanamine
CID 105140363
6-bicyclo[3.1.0]hexanyl-(4-fluoro-2-methylphenyl)methanamine
CID 115852356
(2,5-dichlorophenyl)-(4,4-difluorocyclohexyl)methanamine
CID 105142294
(4,4-difluorocyclohexyl)-(2-methoxyphenyl)methanamine
CID 105093642
1-(4-fluoro-2-methylphenyl)ethanamine
CID 62791014
(5-bromo-2-fluorophenyl)-(4,4-difluorocyclohexyl)methanamine
CID 105167450

Frequently Asked Questions

What is the IUPAC name of (4,4-difluorocyclohexyl)-(4-fluoro-2-methylphenyl)methanamine?
The IUPAC name of (4,4-difluorocyclohexyl)-(4-fluoro-2-methylphenyl)methanamine (CID 105142839) is (4,4-difluorocyclohexyl)-(4-fluoro-2-methylphenyl)methanamine.
What is the SMILES notation for (4,4-difluorocyclohexyl)-(4-fluoro-2-methylphenyl)methanamine?
The canonical SMILES for (4,4-difluorocyclohexyl)-(4-fluoro-2-methylphenyl)methanamine is Cc1cc(F)ccc1C(N)C1CCC(F)(F)CC1.
What is the InChIKey of (4,4-difluorocyclohexyl)-(4-fluoro-2-methylphenyl)methanamine?
The InChIKey is UIZNEILWTIVWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N/c1-9-8-11(15)2-3-12(9)13(18)10-4-6-14(16,17)7-5-10/h2-3,8,10,13H,4-7,18H2,1H3.
What are the key properties of (4,4-difluorocyclohexyl)-(4-fluoro-2-methylphenyl)methanamine?
(4,4-difluorocyclohexyl)-(4-fluoro-2-methylphenyl)methanamine has a molecular weight of 257.30 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluorocyclohexyl)-(4-fluoro-2-methylphenyl)methanamine is sourced from PubChem (CID 105142839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).