N-[[4-(difluoromethoxy)phenyl]methyl]-3-methylcyclohexan-1-amine

C15H21F2NO — CID 43082013

IUPACN-[[4-(difluoromethoxy)phenyl]methyl]-3-methylcyclohexan-1-amine
SMILESCC1CCCC(NCc2ccc(OC(F)F)cc2)C1
InChIInChI=1S/C15H21F2NO/c1-11-3-2-4-13(9-11)18-10-12-5-7-14(8-6-12)19-15(16)17/h5-8,11,13,15,18H,2-4,9-10H2,1H3
InChIKeyKSCMUHAZVQZQHT-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.96
Rot. Bonds5

About N-[[4-(difluoromethoxy)phenyl]methyl]-3-methylcyclohexan-1-amine

N-[[4-(difluoromethoxy)phenyl]methyl]-3-methylcyclohexan-1-amine (PubChem CID 43082013) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]methyl]-3-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]methyl]-3-methylcyclohexan-1-amine
PubChem CID43082013
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC NameN-[[4-(difluoromethoxy)phenyl]methyl]-3-methylcyclohexan-1-amine
SMILESCC1CCCC(NCc2ccc(OC(F)F)cc2)C1
InChIInChI=1S/C15H21F2NO/c1-11-3-2-4-13(9-11)18-10-12-5-7-14(8-6-12)19-15(16)17/h5-8,11,13,15,18H,2-4,9-10H2,1H3
InChIKeyKSCMUHAZVQZQHT-UHFFFAOYSA-N
XLogP3.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(difluoromethoxy)phenyl]methyl]-3,4-dimethylcyclohexan-1-amine
CID 64733158
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-methylcyclohexan-1-amine
CID 43317436
3-methyl-N-[(4-propoxyphenyl)methyl]cyclohexan-1-amine
CID 43317434
N-[[4-(difluoromethoxy)phenyl]methyl]-2,4-dimethylcyclohexan-1-amine
CID 63995059
N-[(4-ethylphenyl)methyl]-3-methylcyclohexan-1-amine
CID 43317393
4-[[(3-methylcyclohexyl)amino]methyl]benzamide
CID 43215986
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methylcyclohexan-1-amine
CID 43433759
N-[[4-(difluoromethoxy)phenyl]methyl]-2-ethylcyclopentan-1-amine
CID 115691377
N-[[4-(difluoromethoxy)phenyl]methyl]-1-(3-methylcyclopentyl)methanamine
CID 107412126
3,5-dimethyl-N-[(4-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine
CID 64733234
N-[(4-propan-2-yloxyphenyl)methyl]cyclopentanamine
CID 43434812
1-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]piperidin-4-amine
CID 43234150

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-3-methylcyclohexan-1-amine?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-3-methylcyclohexan-1-amine (CID 43082013) is N-[[4-(difluoromethoxy)phenyl]methyl]-3-methylcyclohexan-1-amine.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]methyl]-3-methylcyclohexan-1-amine?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]methyl]-3-methylcyclohexan-1-amine is CC1CCCC(NCc2ccc(OC(F)F)cc2)C1.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]methyl]-3-methylcyclohexan-1-amine?
The InChIKey is KSCMUHAZVQZQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-11-3-2-4-13(9-11)18-10-12-5-7-14(8-6-12)19-15(16)17/h5-8,11,13,15,18H,2-4,9-10H2,1H3.
What are the key properties of N-[[4-(difluoromethoxy)phenyl]methyl]-3-methylcyclohexan-1-amine?
N-[[4-(difluoromethoxy)phenyl]methyl]-3-methylcyclohexan-1-amine has a molecular weight of 269.33 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)phenyl]methyl]-3-methylcyclohexan-1-amine is sourced from PubChem (CID 43082013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).