N-[[4-(difluoromethoxy)phenyl]methyl]-1-(3-methylcyclopentyl)methanamine

C15H21F2NO — CID 107412126

IUPACN-[[4-(difluoromethoxy)phenyl]methyl]-1-(3-methylcyclopentyl)methanamine
SMILESCC1CCC(CNCc2ccc(OC(F)F)cc2)C1
InChIInChI=1S/C15H21F2NO/c1-11-2-3-13(8-11)10-18-9-12-4-6-14(7-5-12)19-15(16)17/h4-7,11,13,15,18H,2-3,8-10H2,1H3
InChIKeyZOOSNPZZQTWJGS-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.81
Rot. Bonds6

About N-[[4-(difluoromethoxy)phenyl]methyl]-1-(3-methylcyclopentyl)methanamine

N-[[4-(difluoromethoxy)phenyl]methyl]-1-(3-methylcyclopentyl)methanamine (PubChem CID 107412126) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]methyl]-1-(3-methylcyclopentyl)methanamine.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]methyl]-1-(3-methylcyclopentyl)methanamine
PubChem CID107412126
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC NameN-[[4-(difluoromethoxy)phenyl]methyl]-1-(3-methylcyclopentyl)methanamine
SMILESCC1CCC(CNCc2ccc(OC(F)F)cc2)C1
InChIInChI=1S/C15H21F2NO/c1-11-2-3-13(8-11)10-18-9-12-4-6-14(7-5-12)19-15(16)17/h4-7,11,13,15,18H,2-3,8-10H2,1H3
InChIKeyZOOSNPZZQTWJGS-UHFFFAOYSA-N
XLogP3.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(difluoromethyl)phenyl]methyl]-1-(3-methylcyclopentyl)methanamine
CID 107411764
N-[[4-(difluoromethoxy)phenyl]methyl]-2,4-dimethylcyclohexan-1-amine
CID 63995059
N-[[4-(difluoromethoxy)phenyl]methyl]-3-methylcyclohexan-1-amine
CID 43082013
1-(4-methylcyclohexyl)-N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]methanamine
CID 142230201
N-[(4-chloro-3-fluorophenyl)methyl]-1-(3-methylcyclopentyl)methanamine
CID 107411830
1-[[[4-(difluoromethoxy)phenyl]methylamino]methyl]-3-methylcyclohexan-1-ol
CID 63934756
1-N-[[4-(difluoromethoxy)phenyl]methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43205421
N-[[4-(difluoromethoxy)phenyl]methyl]-3,4-dimethylcyclohexan-1-amine
CID 64733158
N-[[4-(difluoromethoxy)phenyl]methyl]-2-methylprop-2-en-1-amine
CID 115574779
2,6-dimethoxy-4-[[(3-methylcyclopentyl)methylamino]methyl]phenol
CID 107411940
N-(1H-indol-6-ylmethyl)-1-(3-methylcyclopentyl)methanamine
CID 107411513
2-cyclopentyl-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
CID 134029016

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-1-(3-methylcyclopentyl)methanamine?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-1-(3-methylcyclopentyl)methanamine (CID 107412126) is N-[[4-(difluoromethoxy)phenyl]methyl]-1-(3-methylcyclopentyl)methanamine.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]methyl]-1-(3-methylcyclopentyl)methanamine?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]methyl]-1-(3-methylcyclopentyl)methanamine is CC1CCC(CNCc2ccc(OC(F)F)cc2)C1.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]methyl]-1-(3-methylcyclopentyl)methanamine?
The InChIKey is ZOOSNPZZQTWJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-11-2-3-13(8-11)10-18-9-12-4-6-14(7-5-12)19-15(16)17/h4-7,11,13,15,18H,2-3,8-10H2,1H3.
What are the key properties of N-[[4-(difluoromethoxy)phenyl]methyl]-1-(3-methylcyclopentyl)methanamine?
N-[[4-(difluoromethoxy)phenyl]methyl]-1-(3-methylcyclopentyl)methanamine has a molecular weight of 269.33 g/mol, XLogP of 3.81, 6 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]-1-(3-methylcyclopentyl)methanamine is sourced from PubChem (CID 107412126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).