N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2,3-dimethylcyclopentan-1-amine

C16H23F2NO2 — CID 64909930

IUPACN-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2,3-dimethylcyclopentan-1-amine
SMILESCOc1cccc(CNC2CCC(C)C2C)c1OC(F)F
InChIInChI=1S/C16H23F2NO2/c1-10-7-8-13(11(10)2)19-9-12-5-4-6-14(20-3)15(12)21-16(17)18/h4-6,10-11,13,16,19H,7-9H2,1-3H3
InChIKeyMHMNELDAQSKSBY-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.82
Rot. Bonds6

About N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2,3-dimethylcyclopentan-1-amine

N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2,3-dimethylcyclopentan-1-amine (PubChem CID 64909930) has the molecular formula C16H23F2NO2 and a molecular weight of 299.36 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2,3-dimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2,3-dimethylcyclopentan-1-amine
PubChem CID64909930
Molecular FormulaC16H23F2NO2
Molecular Weight299.36 g/mol
Exact Mass299.17
IUPAC NameN-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2,3-dimethylcyclopentan-1-amine
SMILESCOc1cccc(CNC2CCC(C)C2C)c1OC(F)F
InChIInChI=1S/C16H23F2NO2/c1-10-7-8-13(11(10)2)19-9-12-5-4-6-14(20-3)15(12)21-16(17)18/h4-6,10-11,13,16,19H,7-9H2,1-3H3
InChIKeyMHMNELDAQSKSBY-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methyloxolan-3-amine
CID 82725940
N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 64909729
N-[[2-(difluoromethoxy)phenyl]methyl]-2-methylcyclopentan-1-amine
CID 63277687
N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-ethylpentan-2-amine
CID 63842094
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 64910368
N-[(8-methoxyquinolin-2-yl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 80701799
trans-(1S,2S)-2-[(2,3-dimethoxyphenyl)methylamino]cyclohexan-1-ol
CID 94414022
methyl 2-[2-[[(2,3-dimethylcyclopentyl)amino]methyl]phenyl]acetate
CID 115462069
N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-3,4-dimethylaniline
CID 78883616
N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-ethoxyethanamine
CID 43627884
N-[(2-bromophenyl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 64909294
N-[(2,3-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 17295654

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2,3-dimethylcyclopentan-1-amine?
The IUPAC name of N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2,3-dimethylcyclopentan-1-amine (CID 64909930) is N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2,3-dimethylcyclopentan-1-amine.
What is the SMILES notation for N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2,3-dimethylcyclopentan-1-amine?
The canonical SMILES for N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2,3-dimethylcyclopentan-1-amine is COc1cccc(CNC2CCC(C)C2C)c1OC(F)F.
What is the InChIKey of N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2,3-dimethylcyclopentan-1-amine?
The InChIKey is MHMNELDAQSKSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO2/c1-10-7-8-13(11(10)2)19-9-12-5-4-6-14(20-3)15(12)21-16(17)18/h4-6,10-11,13,16,19H,7-9H2,1-3H3.
What are the key properties of N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2,3-dimethylcyclopentan-1-amine?
N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2,3-dimethylcyclopentan-1-amine has a molecular weight of 299.36 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2,3-dimethylcyclopentan-1-amine is sourced from PubChem (CID 64909930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).