N-[[4-(difluoromethoxy)phenyl]methyl]-2-ethylcyclopentan-1-amine

C15H21F2NO — CID 115691377

IUPACN-[[4-(difluoromethoxy)phenyl]methyl]-2-ethylcyclopentan-1-amine
SMILESCCC1CCCC1NCc1ccc(OC(F)F)cc1
InChIInChI=1S/C15H21F2NO/c1-2-12-4-3-5-14(12)18-10-11-6-8-13(9-7-11)19-15(16)17/h6-9,12,14-15,18H,2-5,10H2,1H3
InChIKeyMWAANCIQJLLQRZ-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.96
Rot. Bonds6

About N-[[4-(difluoromethoxy)phenyl]methyl]-2-ethylcyclopentan-1-amine

N-[[4-(difluoromethoxy)phenyl]methyl]-2-ethylcyclopentan-1-amine (PubChem CID 115691377) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]methyl]-2-ethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]methyl]-2-ethylcyclopentan-1-amine
PubChem CID115691377
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC NameN-[[4-(difluoromethoxy)phenyl]methyl]-2-ethylcyclopentan-1-amine
SMILESCCC1CCCC1NCc1ccc(OC(F)F)cc1
InChIInChI=1S/C15H21F2NO/c1-2-12-4-3-5-14(12)18-10-11-6-8-13(9-7-11)19-15(16)17/h6-9,12,14-15,18H,2-5,10H2,1H3
InChIKeyMWAANCIQJLLQRZ-UHFFFAOYSA-N
XLogP3.96
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 ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[4-(difluoromethoxy)phenyl]methyl]-2-ethylcyclopentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine
CID 43434136
N-[(4-cyclopropylphenyl)methyl]-2-ethylcyclohexan-1-amine
CID 79979070
N-benzyl-2-ethylcyclohexan-1-amine
CID 43434056
N-[[4-(difluoromethoxy)phenyl]methyl]-3-methylcyclohexan-1-amine
CID 43082013
N-[[4-(difluoromethoxy)phenyl]methyl]-2,4-dimethylcyclohexan-1-amine
CID 63995059
N-[(3,4-dimethoxyphenyl)methyl]-2-ethylcyclopentan-1-amine
CID 115691314
4-[[(2-ethylcyclohexyl)amino]methyl]benzonitrile
CID 43709316
2-(chloromethyl)-N-[(4-methoxyphenyl)methyl]cyclopentan-1-amine
CID 106364903
N-[[4-(difluoromethoxy)phenyl]methyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105363768
2-ethyl-N-[(3-methoxyphenyl)methyl]cyclopentan-1-amine
CID 115691352
[2-[(4-propoxyphenyl)methylamino]cyclopentyl]methanol
CID 103700395
N-[[4-(difluoromethoxy)phenyl]methyl]-3,4-dimethylcyclohexan-1-amine
CID 64733158

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-2-ethylcyclopentan-1-amine?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-2-ethylcyclopentan-1-amine (CID 115691377) is N-[[4-(difluoromethoxy)phenyl]methyl]-2-ethylcyclopentan-1-amine.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]methyl]-2-ethylcyclopentan-1-amine?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]methyl]-2-ethylcyclopentan-1-amine is CCC1CCCC1NCc1ccc(OC(F)F)cc1.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]methyl]-2-ethylcyclopentan-1-amine?
The InChIKey is MWAANCIQJLLQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-2-12-4-3-5-14(12)18-10-11-6-8-13(9-7-11)19-15(16)17/h6-9,12,14-15,18H,2-5,10H2,1H3.
What are the key properties of N-[[4-(difluoromethoxy)phenyl]methyl]-2-ethylcyclopentan-1-amine?
N-[[4-(difluoromethoxy)phenyl]methyl]-2-ethylcyclopentan-1-amine has a molecular weight of 269.33 g/mol, XLogP of 3.96, 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]-2-ethylcyclopentan-1-amine is sourced from PubChem (CID 115691377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).