(4,4-difluorocyclohexyl)-(3,4-dimethylphenyl)methanamine

C15H21F2N — CID 105140363

IUPAC(4,4-difluorocyclohexyl)-(3,4-dimethylphenyl)methanamine
SMILESCc1ccc(C(N)C2CCC(F)(F)CC2)cc1C
InChIInChI=1S/C15H21F2N/c1-10-3-4-13(9-11(10)2)14(18)12-5-7-15(16,17)8-6-12/h3-4,9,12,14H,5-8,18H2,1-2H3
InChIKeyPQYNHWQVNUJAIM-UHFFFAOYSA-N
MW253.34 g/mol
LogP4.13
Rot. Bonds2

About (4,4-difluorocyclohexyl)-(3,4-dimethylphenyl)methanamine

(4,4-difluorocyclohexyl)-(3,4-dimethylphenyl)methanamine (PubChem CID 105140363) has the molecular formula C15H21F2N and a molecular weight of 253.34 g/mol. Its IUPAC name is (4,4-difluorocyclohexyl)-(3,4-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(4,4-difluorocyclohexyl)-(3,4-dimethylphenyl)methanamine
PubChem CID105140363
Molecular FormulaC15H21F2N
Molecular Weight253.34 g/mol
Exact Mass253.16
IUPAC Name(4,4-difluorocyclohexyl)-(3,4-dimethylphenyl)methanamine
SMILESCc1ccc(C(N)C2CCC(F)(F)CC2)cc1C
InChIInChI=1S/C15H21F2N/c1-10-3-4-13(9-11(10)2)14(18)12-5-7-15(16,17)8-6-12/h3-4,9,12,14H,5-8,18H2,1-2H3
InChIKeyPQYNHWQVNUJAIM-UHFFFAOYSA-N
XLogP4.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3,4-dimethylphenyl)-(4-methylcyclohexyl)methanamine
CID 62549202
(R)-cyclohexyl-(3,4-dimethylphenyl)methanamine;hydrochloride
CID 171200491
(S)-(3,4-dimethylphenyl)-(oxan-4-yl)methanamine
CID 94891825
(4,4-difluorocyclohexyl)-(4-fluoro-2-methylphenyl)methanamine
CID 105142839
(3,4-dimethylphenyl)-pyrrolidin-3-ylmethanamine
CID 116935490
(S)-cyclohexyl-(4-fluoro-3-methylphenyl)methanamine
CID 39244944
[(3-chloro-4-methylphenyl)-(4,4-difluorocyclohexyl)methyl]hydrazine
CID 107562549
(S)-(3-chloro-4-methylphenyl)-cyclopentylmethanamine
CID 131581688
1-(4,4-difluorocyclohexyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 107130403
(S)-(3-fluoro-4-methylphenyl)-(oxan-4-yl)methanamine
CID 131582096
cyclopentyl-(3-methyl-4-propan-2-yloxyphenyl)methanamine
CID 82296047
(R)-cyclobutyl-(4-methoxy-3-methylphenyl)methanamine;hydrochloride
CID 171213709

Frequently Asked Questions

What is the IUPAC name of (4,4-difluorocyclohexyl)-(3,4-dimethylphenyl)methanamine?
The IUPAC name of (4,4-difluorocyclohexyl)-(3,4-dimethylphenyl)methanamine (CID 105140363) is (4,4-difluorocyclohexyl)-(3,4-dimethylphenyl)methanamine.
What is the SMILES notation for (4,4-difluorocyclohexyl)-(3,4-dimethylphenyl)methanamine?
The canonical SMILES for (4,4-difluorocyclohexyl)-(3,4-dimethylphenyl)methanamine is Cc1ccc(C(N)C2CCC(F)(F)CC2)cc1C.
What is the InChIKey of (4,4-difluorocyclohexyl)-(3,4-dimethylphenyl)methanamine?
The InChIKey is PQYNHWQVNUJAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N/c1-10-3-4-13(9-11(10)2)14(18)12-5-7-15(16,17)8-6-12/h3-4,9,12,14H,5-8,18H2,1-2H3.
What are the key properties of (4,4-difluorocyclohexyl)-(3,4-dimethylphenyl)methanamine?
(4,4-difluorocyclohexyl)-(3,4-dimethylphenyl)methanamine has a molecular weight of 253.34 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluorocyclohexyl)-(3,4-dimethylphenyl)methanamine is sourced from PubChem (CID 105140363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).