N-[[2-(difluoromethoxy)phenyl]methyl]-2-methylcyclopentan-1-amine

C14H19F2NO — CID 63277687

IUPACN-[[2-(difluoromethoxy)phenyl]methyl]-2-methylcyclopentan-1-amine
SMILESCC1CCCC1NCc1ccccc1OC(F)F
InChIInChI=1S/C14H19F2NO/c1-10-5-4-7-12(10)17-9-11-6-2-3-8-13(11)18-14(15)16/h2-3,6,8,10,12,14,17H,4-5,7,9H2,1H3
InChIKeyQLMAULXHXKTYAZ-UHFFFAOYSA-N
MW255.31 g/mol
LogP3.57
Rot. Bonds5

About N-[[2-(difluoromethoxy)phenyl]methyl]-2-methylcyclopentan-1-amine

N-[[2-(difluoromethoxy)phenyl]methyl]-2-methylcyclopentan-1-amine (PubChem CID 63277687) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)phenyl]methyl]-2-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)phenyl]methyl]-2-methylcyclopentan-1-amine
PubChem CID63277687
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC NameN-[[2-(difluoromethoxy)phenyl]methyl]-2-methylcyclopentan-1-amine
SMILESCC1CCCC1NCc1ccccc1OC(F)F
InChIInChI=1S/C14H19F2NO/c1-10-5-4-7-12(10)17-9-11-6-2-3-8-13(11)18-14(15)16/h2-3,6,8,10,12,14,17H,4-5,7,9H2,1H3
InChIKeyQLMAULXHXKTYAZ-UHFFFAOYSA-N
XLogP3.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(difluoromethoxy)phenyl]methyl]-1-(2-methylcyclohexyl)methanamine
CID 63456082
1-cyclobutyl-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine
CID 43298345
N-[[2-(difluoromethoxy)phenyl]methyl]-3-propan-2-ylcyclobutan-1-amine
CID 103560901
2-methyl-N-[(2-methylphenyl)methyl]cyclohexan-1-amine
CID 43081283
N-[(2-chlorophenyl)methyl]-2-methylcyclohexan-1-amine
CID 43079937
N-[[2-(difluoromethoxy)phenyl]methyl]-5-methylthiolan-3-amine
CID 79942525
N-[(2,3-difluorophenyl)methyl]-2-methylcyclopentan-1-amine
CID 63277681
[2-[(2-propan-2-yloxyphenyl)methylamino]cyclopentyl]methanol
CID 103700313
3-[[2-(difluoromethoxy)phenyl]methylamino]oxolan-2-one
CID 43824124
trans-(1R,2R)-1-N,2-N-bis[(2-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 71414214
[2-[[2-(difluoromethoxy)phenyl]methylamino]-1-methylcyclopentyl]methanol
CID 111468790
2-cyclopropyl-N-[[2-(difluoromethoxy)phenyl]methyl]propan-1-amine
CID 115592704

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-2-methylcyclopentan-1-amine?
The IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-2-methylcyclopentan-1-amine (CID 63277687) is N-[[2-(difluoromethoxy)phenyl]methyl]-2-methylcyclopentan-1-amine.
What is the SMILES notation for N-[[2-(difluoromethoxy)phenyl]methyl]-2-methylcyclopentan-1-amine?
The canonical SMILES for N-[[2-(difluoromethoxy)phenyl]methyl]-2-methylcyclopentan-1-amine is CC1CCCC1NCc1ccccc1OC(F)F.
What is the InChIKey of N-[[2-(difluoromethoxy)phenyl]methyl]-2-methylcyclopentan-1-amine?
The InChIKey is QLMAULXHXKTYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-10-5-4-7-12(10)17-9-11-6-2-3-8-13(11)18-14(15)16/h2-3,6,8,10,12,14,17H,4-5,7,9H2,1H3.
What are the key properties of N-[[2-(difluoromethoxy)phenyl]methyl]-2-methylcyclopentan-1-amine?
N-[[2-(difluoromethoxy)phenyl]methyl]-2-methylcyclopentan-1-amine has a molecular weight of 255.31 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethoxy)phenyl]methyl]-2-methylcyclopentan-1-amine is sourced from PubChem (CID 63277687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).