N-[[3-(difluoromethyl)phenyl]methyl]-2-methylcycloheptan-1-amine

C16H23F2N — CID 115526581

IUPACN-[[3-(difluoromethyl)phenyl]methyl]-2-methylcycloheptan-1-amine
SMILESCC1CCCCCC1NCc1cccc(C(F)F)c1
InChIInChI=1S/C16H23F2N/c1-12-6-3-2-4-9-15(12)19-11-13-7-5-8-14(10-13)16(17)18/h5,7-8,10,12,15-16,19H,2-4,6,9,11H2,1H3
InChIKeyCAJBWPZDRMZORX-UHFFFAOYSA-N
MW267.36 g/mol
LogP4.68
Rot. Bonds4

About N-[[3-(difluoromethyl)phenyl]methyl]-2-methylcycloheptan-1-amine

N-[[3-(difluoromethyl)phenyl]methyl]-2-methylcycloheptan-1-amine (PubChem CID 115526581) has the molecular formula C16H23F2N and a molecular weight of 267.36 g/mol. Its IUPAC name is N-[[3-(difluoromethyl)phenyl]methyl]-2-methylcycloheptan-1-amine.

Molecular Properties

Compound NameN-[[3-(difluoromethyl)phenyl]methyl]-2-methylcycloheptan-1-amine
PubChem CID115526581
Molecular FormulaC16H23F2N
Molecular Weight267.36 g/mol
Exact Mass267.18
IUPAC NameN-[[3-(difluoromethyl)phenyl]methyl]-2-methylcycloheptan-1-amine
SMILESCC1CCCCCC1NCc1cccc(C(F)F)c1
InChIInChI=1S/C16H23F2N/c1-12-6-3-2-4-9-15(12)19-11-13-7-5-8-14(10-13)16(17)18/h5,7-8,10,12,15-16,19H,2-4,6,9,11H2,1H3
InChIKeyCAJBWPZDRMZORX-UHFFFAOYSA-N
XLogP4.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-bromophenyl)methyl]-2-methylcyclohexan-1-amine
CID 43178720
2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 43080931
2-methyl-N-[(3-propoxyphenyl)methyl]cyclohexan-1-amine
CID 55199783
1-cyclohexyl-N-[[3-(difluoromethyl)phenyl]methyl]methanamine
CID 113328694
N-[(3-chloro-4-fluorophenyl)methyl]-2-methylcycloheptan-1-amine
CID 81145754
N-[(3-propan-2-ylphenyl)methyl]cyclopentanamine
CID 126684599
3-[[(2-methylcyclopentyl)amino]methyl]benzoic acid
CID 103251324
2-cyclopentyl-N-[[3-(difluoromethyl)phenyl]methyl]ethanamine
CID 113328709
3-[[(2-methylcyclopentyl)amino]methyl]benzamide
CID 63277760
N-[[3-(difluoromethyl)phenyl]methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103965604
2-methyl-N-[(4-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine
CID 43434809
2-cyclopropyl-N-[[3-(difluoromethyl)phenyl]methyl]propan-2-amine
CID 107470447

Frequently Asked Questions

What is the IUPAC name of N-[[3-(difluoromethyl)phenyl]methyl]-2-methylcycloheptan-1-amine?
The IUPAC name of N-[[3-(difluoromethyl)phenyl]methyl]-2-methylcycloheptan-1-amine (CID 115526581) is N-[[3-(difluoromethyl)phenyl]methyl]-2-methylcycloheptan-1-amine.
What is the SMILES notation for N-[[3-(difluoromethyl)phenyl]methyl]-2-methylcycloheptan-1-amine?
The canonical SMILES for N-[[3-(difluoromethyl)phenyl]methyl]-2-methylcycloheptan-1-amine is CC1CCCCCC1NCc1cccc(C(F)F)c1.
What is the InChIKey of N-[[3-(difluoromethyl)phenyl]methyl]-2-methylcycloheptan-1-amine?
The InChIKey is CAJBWPZDRMZORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N/c1-12-6-3-2-4-9-15(12)19-11-13-7-5-8-14(10-13)16(17)18/h5,7-8,10,12,15-16,19H,2-4,6,9,11H2,1H3.
What are the key properties of N-[[3-(difluoromethyl)phenyl]methyl]-2-methylcycloheptan-1-amine?
N-[[3-(difluoromethyl)phenyl]methyl]-2-methylcycloheptan-1-amine has a molecular weight of 267.36 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(difluoromethyl)phenyl]methyl]-2-methylcycloheptan-1-amine is sourced from PubChem (CID 115526581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).