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

C15H21F2N — CID 107411764

IUPACN-[[4-(difluoromethyl)phenyl]methyl]-1-(3-methylcyclopentyl)methanamine
SMILESCC1CCC(CNCc2ccc(C(F)F)cc2)C1
InChIInChI=1S/C15H21F2N/c1-11-2-3-13(8-11)10-18-9-12-4-6-14(7-5-12)15(16)17/h4-7,11,13,15,18H,2-3,8-10H2,1H3
InChIKeyYETLRCPVRCDCME-UHFFFAOYSA-N
MW253.34 g/mol
LogP4.15
Rot. Bonds5

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

N-[[4-(difluoromethyl)phenyl]methyl]-1-(3-methylcyclopentyl)methanamine (PubChem CID 107411764) has the molecular formula C15H21F2N and a molecular weight of 253.34 g/mol. Its IUPAC name is N-[[4-(difluoromethyl)phenyl]methyl]-1-(3-methylcyclopentyl)methanamine.

Molecular Properties

Compound NameN-[[4-(difluoromethyl)phenyl]methyl]-1-(3-methylcyclopentyl)methanamine
PubChem CID107411764
Molecular FormulaC15H21F2N
Molecular Weight253.34 g/mol
Exact Mass253.16
IUPAC NameN-[[4-(difluoromethyl)phenyl]methyl]-1-(3-methylcyclopentyl)methanamine
SMILESCC1CCC(CNCc2ccc(C(F)F)cc2)C1
InChIInChI=1S/C15H21F2N/c1-11-2-3-13(8-11)10-18-9-12-4-6-14(7-5-12)15(16)17/h4-7,11,13,15,18H,2-3,8-10H2,1H3
InChIKeyYETLRCPVRCDCME-UHFFFAOYSA-N
XLogP4.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[4-(difluoromethoxy)phenyl]methyl]-1-(3-methylcyclopentyl)methanamine
CID 107412126
N-[(4-chloro-3-fluorophenyl)methyl]-1-(3-methylcyclopentyl)methanamine
CID 107411830
N-[[4-(difluoromethyl)phenyl]methyl]-1-(4-methylcyclohexyl)methanamine;N,N,2-trimethylquinazolin-4-amine
CID 142230510
N-(1H-indol-6-ylmethyl)-1-(3-methylcyclopentyl)methanamine
CID 107411513
1-(4-fluorophenyl)-2-[(3-methylcyclopentyl)methylamino]ethanol
CID 107412879
1-(3-methylcyclobutyl)-N-[(4-methylphenyl)methyl]methanamine
CID 97034738
3-[[(4-fluorophenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270748
N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-(3-methylcyclopentyl)methanamine
CID 107412254
2,6-dimethoxy-4-[[(3-methylcyclopentyl)methylamino]methyl]phenol
CID 107411940
3-[[(3-methylcyclopentyl)methylamino]methyl]benzonitrile
CID 107411828
1-(4-fluorophenyl)-N-[(3-methylcyclopentyl)methyl]ethanamine
CID 107411910
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-1-(3-methylcyclopentyl)methanamine
CID 107411813

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethyl)phenyl]methyl]-1-(3-methylcyclopentyl)methanamine?
The IUPAC name of N-[[4-(difluoromethyl)phenyl]methyl]-1-(3-methylcyclopentyl)methanamine (CID 107411764) is N-[[4-(difluoromethyl)phenyl]methyl]-1-(3-methylcyclopentyl)methanamine.
What is the SMILES notation for N-[[4-(difluoromethyl)phenyl]methyl]-1-(3-methylcyclopentyl)methanamine?
The canonical SMILES for N-[[4-(difluoromethyl)phenyl]methyl]-1-(3-methylcyclopentyl)methanamine is CC1CCC(CNCc2ccc(C(F)F)cc2)C1.
What is the InChIKey of N-[[4-(difluoromethyl)phenyl]methyl]-1-(3-methylcyclopentyl)methanamine?
The InChIKey is YETLRCPVRCDCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N/c1-11-2-3-13(8-11)10-18-9-12-4-6-14(7-5-12)15(16)17/h4-7,11,13,15,18H,2-3,8-10H2,1H3.
What are the key properties of N-[[4-(difluoromethyl)phenyl]methyl]-1-(3-methylcyclopentyl)methanamine?
N-[[4-(difluoromethyl)phenyl]methyl]-1-(3-methylcyclopentyl)methanamine has a molecular weight of 253.34 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethyl)phenyl]methyl]-1-(3-methylcyclopentyl)methanamine is sourced from PubChem (CID 107411764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).