1-(4,4-difluorocyclohexyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine

C17H25F2N — CID 105144881

IUPAC1-(4,4-difluorocyclohexyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
SMILESCNC(c1ccc(C(C)C)cc1)C1CCC(F)(F)CC1
InChIInChI=1S/C17H25F2N/c1-12(2)13-4-6-14(7-5-13)16(20-3)15-8-10-17(18,19)11-9-15/h4-7,12,15-16,20H,8-11H2,1-3H3
InChIKeyYTRDRXXTQPIXRY-UHFFFAOYSA-N
MW281.39 g/mol
LogP4.90
Rot. Bonds4

About 1-(4,4-difluorocyclohexyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine

1-(4,4-difluorocyclohexyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine (PubChem CID 105144881) has the molecular formula C17H25F2N and a molecular weight of 281.39 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
PubChem CID105144881
Molecular FormulaC17H25F2N
Molecular Weight281.39 g/mol
Exact Mass281.20
IUPAC Name1-(4,4-difluorocyclohexyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
SMILESCNC(c1ccc(C(C)C)cc1)C1CCC(F)(F)CC1
InChIInChI=1S/C17H25F2N/c1-12(2)13-4-6-14(7-5-13)16(20-3)15-8-10-17(18,19)11-9-15/h4-7,12,15-16,20H,8-11H2,1-3H3
InChIKeyYTRDRXXTQPIXRY-UHFFFAOYSA-N
XLogP4.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.39
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4,4-difluorocyclohexyl)-N-methyl-1-thiophen-3-ylmethanamine
CID 105154096
1-(4,4-difluorocyclohexyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 107130403
1-(4,4-difluorocyclohexyl)-1-(2,6-difluorophenyl)-N-methylmethanamine
CID 105149449
1-(4,4-difluorocyclohexyl)-1-(furan-2-yl)-N-methylmethanamine
CID 105147024
1-(3-cyclopropyloxyphenyl)-1-(4,4-difluorocyclohexyl)-N-methylmethanamine
CID 105188648
1-(4-chlorophenyl)-1-cyclopentyl-N-methylmethanamine
CID 43481459
1-(4,4-difluorocyclohexyl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 105142852
1-(4,4-difluorocyclohexyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 105143269
1-(4-chlorophenyl)-1-cyclohexyl-N-methylmethanamine
CID 43481433
[(4,4-difluorocyclohexyl)-(4-ethoxyphenyl)methyl]hydrazine
CID 105300749
[(3-chloro-4-methylphenyl)-(4,4-difluorocyclohexyl)methyl]hydrazine
CID 107562549
1-(4-chlorophenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 55185676

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine (CID 105144881) is 1-(4,4-difluorocyclohexyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine is CNC(c1ccc(C(C)C)cc1)C1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine?
The InChIKey is YTRDRXXTQPIXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2N/c1-12(2)13-4-6-14(7-5-13)16(20-3)15-8-10-17(18,19)11-9-15/h4-7,12,15-16,20H,8-11H2,1-3H3.
What are the key properties of 1-(4,4-difluorocyclohexyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine?
1-(4,4-difluorocyclohexyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine has a molecular weight of 281.39 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine is sourced from PubChem (CID 105144881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).