N-[(3,4-difluorophenyl)-(3-methylcyclohexyl)methyl]propan-1-amine

C17H25F2N — CID 63415343

IUPACN-[(3,4-difluorophenyl)-(3-methylcyclohexyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)c(F)c1)C1CCCC(C)C1
InChIInChI=1S/C17H25F2N/c1-3-9-20-17(13-6-4-5-12(2)10-13)14-7-8-15(18)16(19)11-14/h7-8,11-13,17,20H,3-6,9-10H2,1-2H3
InChIKeySVQHNLULIVOFMF-UHFFFAOYSA-N
MW281.39 g/mol
LogP4.83
Rot. Bonds5

About N-[(3,4-difluorophenyl)-(3-methylcyclohexyl)methyl]propan-1-amine

N-[(3,4-difluorophenyl)-(3-methylcyclohexyl)methyl]propan-1-amine (PubChem CID 63415343) has the molecular formula C17H25F2N and a molecular weight of 281.39 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)-(3-methylcyclohexyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)-(3-methylcyclohexyl)methyl]propan-1-amine
PubChem CID63415343
Molecular FormulaC17H25F2N
Molecular Weight281.39 g/mol
Exact Mass281.20
IUPAC NameN-[(3,4-difluorophenyl)-(3-methylcyclohexyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)c(F)c1)C1CCCC(C)C1
InChIInChI=1S/C17H25F2N/c1-3-9-20-17(13-6-4-5-12(2)10-13)14-7-8-15(18)16(19)11-14/h7-8,11-13,17,20H,3-6,9-10H2,1-2H3
InChIKeySVQHNLULIVOFMF-UHFFFAOYSA-N
XLogP4.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.39
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3,4-difluorophenyl)-(3-methylcyclopentyl)methyl]propan-1-amine
CID 65414607
N-[(3-fluoro-4-methoxyphenyl)-(3-methylcyclopentyl)methyl]propan-1-amine
CID 65413801
N-[(3-iodophenyl)-(3-methylcyclohexyl)methyl]propan-1-amine
CID 104991968
N-[(4-fluorophenyl)-(3-methylcyclopentyl)methyl]propan-1-amine
CID 65412981
N-[(3-methylcyclohexyl)-(3-propylphenyl)methyl]propan-1-amine
CID 116544174
N-[cycloheptyl-(4-fluoro-3-methoxyphenyl)methyl]propan-1-amine
CID 105027607
N-[(4-fluorophenyl)-(3-methylcyclohexyl)methyl]ethanamine
CID 55187004
N-[(3,4-difluorophenyl)-(oxan-2-yl)methyl]propan-1-amine
CID 62213882
N-[(3-chloro-2-fluorophenyl)-(3-methylcyclohexyl)methyl]propan-1-amine
CID 64715701
N-[cycloheptyl-(3,4,5-trifluorophenyl)methyl]propan-1-amine
CID 82932686
N-[(2,6-difluoro-3-methylphenyl)-(3-methylcyclohexyl)methyl]ethanamine
CID 82822378
N-[(4-bromo-2-methylphenyl)-(3-methylcyclohexyl)methyl]propan-1-amine
CID 104992020

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)-(3-methylcyclohexyl)methyl]propan-1-amine?
The IUPAC name of N-[(3,4-difluorophenyl)-(3-methylcyclohexyl)methyl]propan-1-amine (CID 63415343) is N-[(3,4-difluorophenyl)-(3-methylcyclohexyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3,4-difluorophenyl)-(3-methylcyclohexyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3,4-difluorophenyl)-(3-methylcyclohexyl)methyl]propan-1-amine is CCCNC(c1ccc(F)c(F)c1)C1CCCC(C)C1.
What is the InChIKey of N-[(3,4-difluorophenyl)-(3-methylcyclohexyl)methyl]propan-1-amine?
The InChIKey is SVQHNLULIVOFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2N/c1-3-9-20-17(13-6-4-5-12(2)10-13)14-7-8-15(18)16(19)11-14/h7-8,11-13,17,20H,3-6,9-10H2,1-2H3.
What are the key properties of N-[(3,4-difluorophenyl)-(3-methylcyclohexyl)methyl]propan-1-amine?
N-[(3,4-difluorophenyl)-(3-methylcyclohexyl)methyl]propan-1-amine has a molecular weight of 281.39 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)-(3-methylcyclohexyl)methyl]propan-1-amine is sourced from PubChem (CID 63415343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).