(4,4-difluorocyclohexyl)-(2-methoxyphenyl)methanamine

C14H19F2NO — CID 105093642

IUPAC(4,4-difluorocyclohexyl)-(2-methoxyphenyl)methanamine
SMILESCOc1ccccc1C(N)C1CCC(F)(F)CC1
InChIInChI=1S/C14H19F2NO/c1-18-12-5-3-2-4-11(12)13(17)10-6-8-14(15,16)9-7-10/h2-5,10,13H,6-9,17H2,1H3
InChIKeyMADUZKFPPKWJPK-UHFFFAOYSA-N
MW255.31 g/mol
LogP3.52
Rot. Bonds3

About (4,4-difluorocyclohexyl)-(2-methoxyphenyl)methanamine

(4,4-difluorocyclohexyl)-(2-methoxyphenyl)methanamine (PubChem CID 105093642) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is (4,4-difluorocyclohexyl)-(2-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(4,4-difluorocyclohexyl)-(2-methoxyphenyl)methanamine
PubChem CID105093642
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name(4,4-difluorocyclohexyl)-(2-methoxyphenyl)methanamine
SMILESCOc1ccccc1C(N)C1CCC(F)(F)CC1
InChIInChI=1S/C14H19F2NO/c1-18-12-5-3-2-4-11(12)13(17)10-6-8-14(15,16)9-7-10/h2-5,10,13H,6-9,17H2,1H3
InChIKeyMADUZKFPPKWJPK-UHFFFAOYSA-N
XLogP3.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-cyclopropyl-(2-methoxyphenyl)methanamine
CID 45072420
(2-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methanamine
CID 65423601
[(4,4-difluorocyclohexyl)-(2-methoxyphenyl)methyl]hydrazine
CID 105285751
(R)-cyclopentyl-(2-methoxyphenyl)methanamine;hydrochloride
CID 171200457
(S)-(2-methoxyphenyl)-(oxan-4-yl)methanamine
CID 131274584
(2-methoxyphenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105093730
(R)-cyclopropyl-(2-propan-2-yloxyphenyl)methanamine;hydrochloride
CID 171211944
4-[amino-(2-methoxyphenyl)methyl]cyclohexane-1-carboxylic acid
CID 116938818
(4,4-difluorocyclohexyl)-(2,6-dimethoxyphenyl)methanol
CID 105131631
(4,4-difluorocyclohexyl)-(4-fluoro-2-methylphenyl)methanamine
CID 105142839
[(4,4-difluorocyclohexyl)-(5-fluoro-2-methoxyphenyl)methyl]hydrazine
CID 105330884
(4,4-difluorocyclohexyl)-(5-fluoro-2-methoxyphenyl)methanol
CID 105122331

Frequently Asked Questions

What is the IUPAC name of (4,4-difluorocyclohexyl)-(2-methoxyphenyl)methanamine?
The IUPAC name of (4,4-difluorocyclohexyl)-(2-methoxyphenyl)methanamine (CID 105093642) is (4,4-difluorocyclohexyl)-(2-methoxyphenyl)methanamine.
What is the SMILES notation for (4,4-difluorocyclohexyl)-(2-methoxyphenyl)methanamine?
The canonical SMILES for (4,4-difluorocyclohexyl)-(2-methoxyphenyl)methanamine is COc1ccccc1C(N)C1CCC(F)(F)CC1.
What is the InChIKey of (4,4-difluorocyclohexyl)-(2-methoxyphenyl)methanamine?
The InChIKey is MADUZKFPPKWJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-18-12-5-3-2-4-11(12)13(17)10-6-8-14(15,16)9-7-10/h2-5,10,13H,6-9,17H2,1H3.
What are the key properties of (4,4-difluorocyclohexyl)-(2-methoxyphenyl)methanamine?
(4,4-difluorocyclohexyl)-(2-methoxyphenyl)methanamine has a molecular weight of 255.31 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluorocyclohexyl)-(2-methoxyphenyl)methanamine is sourced from PubChem (CID 105093642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).