(2,5-dichlorophenyl)-(4,4-difluorocyclohexyl)methanamine

C13H15Cl2F2N — CID 105142294

IUPAC(2,5-dichlorophenyl)-(4,4-difluorocyclohexyl)methanamine
SMILESNC(c1cc(Cl)ccc1Cl)C1CCC(F)(F)CC1
InChIInChI=1S/C13H15Cl2F2N/c14-9-1-2-11(15)10(7-9)12(18)8-3-5-13(16,17)6-4-8/h1-2,7-8,12H,3-6,18H2
InChIKeyQEEWZHMWTSSIQN-UHFFFAOYSA-N
MW294.17 g/mol
LogP4.82
Rot. Bonds2

About (2,5-dichlorophenyl)-(4,4-difluorocyclohexyl)methanamine

(2,5-dichlorophenyl)-(4,4-difluorocyclohexyl)methanamine (PubChem CID 105142294) has the molecular formula C13H15Cl2F2N and a molecular weight of 294.17 g/mol. Its IUPAC name is (2,5-dichlorophenyl)-(4,4-difluorocyclohexyl)methanamine.

Molecular Properties

Compound Name(2,5-dichlorophenyl)-(4,4-difluorocyclohexyl)methanamine
PubChem CID105142294
Molecular FormulaC13H15Cl2F2N
Molecular Weight294.17 g/mol
Exact Mass293.05
IUPAC Name(2,5-dichlorophenyl)-(4,4-difluorocyclohexyl)methanamine
SMILESNC(c1cc(Cl)ccc1Cl)C1CCC(F)(F)CC1
InChIInChI=1S/C13H15Cl2F2N/c14-9-1-2-11(15)10(7-9)12(18)8-3-5-13(16,17)6-4-8/h1-2,7-8,12H,3-6,18H2
InChIKeyQEEWZHMWTSSIQN-UHFFFAOYSA-N
XLogP4.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.17
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(R)-cyclobutyl-(2,5-dichlorophenyl)methanamine
CID 130055186
(5-bromo-2-fluorophenyl)-(4,4-difluorocyclohexyl)methanamine
CID 105167450
(4,4-difluorocyclohexyl)-(4-fluoro-2-methylphenyl)methanamine
CID 105142839
(S)-(2-chloro-5-fluorophenyl)-cyclopentylmethanamine
CID 131512229
(2,5-dichlorophenyl)-(4-propylcyclohexyl)methanamine
CID 65423953
2-(2,5-dichlorophenyl)-1-(4,4-difluorocyclohexyl)ethanol
CID 105100405
(2,5-dichlorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 66478207
(R)-cyclopropyl-(2,4-dichlorophenyl)methanamine;hydrochloride
CID 171212549
(R)-(5-chloro-2-fluorophenyl)-cyclohexylmethanamine;hydrochloride
CID 171202097
(R)-(2-bromo-5-chlorophenyl)-cyclopropylmethanamine
CID 97290672
(5-bromo-2-chlorophenyl)-cyclobutylmethanamine
CID 112631034
(4,4-difluorocyclohexyl)-(2-methoxyphenyl)methanamine
CID 105093642

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorophenyl)-(4,4-difluorocyclohexyl)methanamine?
The IUPAC name of (2,5-dichlorophenyl)-(4,4-difluorocyclohexyl)methanamine (CID 105142294) is (2,5-dichlorophenyl)-(4,4-difluorocyclohexyl)methanamine.
What is the SMILES notation for (2,5-dichlorophenyl)-(4,4-difluorocyclohexyl)methanamine?
The canonical SMILES for (2,5-dichlorophenyl)-(4,4-difluorocyclohexyl)methanamine is NC(c1cc(Cl)ccc1Cl)C1CCC(F)(F)CC1.
What is the InChIKey of (2,5-dichlorophenyl)-(4,4-difluorocyclohexyl)methanamine?
The InChIKey is QEEWZHMWTSSIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2F2N/c14-9-1-2-11(15)10(7-9)12(18)8-3-5-13(16,17)6-4-8/h1-2,7-8,12H,3-6,18H2.
What are the key properties of (2,5-dichlorophenyl)-(4,4-difluorocyclohexyl)methanamine?
(2,5-dichlorophenyl)-(4,4-difluorocyclohexyl)methanamine has a molecular weight of 294.17 g/mol, XLogP of 4.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorophenyl)-(4,4-difluorocyclohexyl)methanamine is sourced from PubChem (CID 105142294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).