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

C16H23F2NO2 — CID 43317436

IUPACN-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-methylcyclohexan-1-amine
SMILESCOc1ccc(CNC2CCCC(C)C2)cc1OC(F)F
InChIInChI=1S/C16H23F2NO2/c1-11-4-3-5-13(8-11)19-10-12-6-7-14(20-2)15(9-12)21-16(17)18/h6-7,9,11,13,16,19H,3-5,8,10H2,1-2H3
InChIKeyYFUAUTGVZULPCJ-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.96
Rot. Bonds6

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

N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-methylcyclohexan-1-amine (PubChem CID 43317436) has the molecular formula C16H23F2NO2 and a molecular weight of 299.36 g/mol. Its IUPAC name is N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-methylcyclohexan-1-amine
PubChem CID43317436
Molecular FormulaC16H23F2NO2
Molecular Weight299.36 g/mol
Exact Mass299.17
IUPAC NameN-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-methylcyclohexan-1-amine
SMILESCOc1ccc(CNC2CCCC(C)C2)cc1OC(F)F
InChIInChI=1S/C16H23F2NO2/c1-11-4-3-5-13(8-11)19-10-12-6-7-14(20-2)15(9-12)21-16(17)18/h6-7,9,11,13,16,19H,3-5,8,10H2,1-2H3
InChIKeyYFUAUTGVZULPCJ-UHFFFAOYSA-N
XLogP3.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(difluoromethoxy)phenyl]methyl]-3-methylcyclohexan-1-amine
CID 43082013
N-[(4-butoxy-3-methoxyphenyl)methyl]-3-methylcyclohexan-1-amine
CID 54848890
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methylcyclohexan-1-amine
CID 43433759
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,3-dimethylcyclopentan-1-amine
CID 115881518
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylcyclohexan-1-amine
CID 2846430
1-N-[(3,4-dimethoxyphenyl)methyl]cyclohexane-1,3-diamine
CID 79458725
5-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]piperidin-2-one
CID 63378779
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79351929
N-[(2,5-dimethoxyphenyl)methyl]-3-methylcyclohexan-1-amine
CID 43244054
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80611753
(1R,2R,6S,7R,8S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 11946796
1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-methyl-3-(4-methylcyclohexyl)guanidine
CID 111255973

Frequently Asked Questions

What is the IUPAC name of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-methylcyclohexan-1-amine?
The IUPAC name of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-methylcyclohexan-1-amine (CID 43317436) is N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-methylcyclohexan-1-amine.
What is the SMILES notation for N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-methylcyclohexan-1-amine?
The canonical SMILES for N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-methylcyclohexan-1-amine is COc1ccc(CNC2CCCC(C)C2)cc1OC(F)F.
What is the InChIKey of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-methylcyclohexan-1-amine?
The InChIKey is YFUAUTGVZULPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO2/c1-11-4-3-5-13(8-11)19-10-12-6-7-14(20-2)15(9-12)21-16(17)18/h6-7,9,11,13,16,19H,3-5,8,10H2,1-2H3.
What are the key properties of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-methylcyclohexan-1-amine?
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-methylcyclohexan-1-amine has a molecular weight of 299.36 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-methylcyclohexan-1-amine is sourced from PubChem (CID 43317436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).