1-[[[4-(difluoromethoxy)phenyl]methylamino]methyl]-N,N-dimethylcyclopentan-1-amine

C16H24F2N2O — CID 78912474

IUPAC1-[[[4-(difluoromethoxy)phenyl]methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
SMILESCN(C)C1(CNCc2ccc(OC(F)F)cc2)CCCC1
InChIInChI=1S/C16H24F2N2O/c1-20(2)16(9-3-4-10-16)12-19-11-13-5-7-14(8-6-13)21-15(17)18/h5-8,15,19H,3-4,9-12H2,1-2H3
InChIKeyCLXVMXTWMIJIBP-UHFFFAOYSA-N
MW298.38 g/mol
LogP3.25
Rot. Bonds7

About 1-[[[4-(difluoromethoxy)phenyl]methylamino]methyl]-N,N-dimethylcyclopentan-1-amine

1-[[[4-(difluoromethoxy)phenyl]methylamino]methyl]-N,N-dimethylcyclopentan-1-amine (PubChem CID 78912474) has the molecular formula C16H24F2N2O and a molecular weight of 298.38 g/mol. Its IUPAC name is 1-[[[4-(difluoromethoxy)phenyl]methylamino]methyl]-N,N-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name1-[[[4-(difluoromethoxy)phenyl]methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
PubChem CID78912474
Molecular FormulaC16H24F2N2O
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name1-[[[4-(difluoromethoxy)phenyl]methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
SMILESCN(C)C1(CNCc2ccc(OC(F)F)cc2)CCCC1
InChIInChI=1S/C16H24F2N2O/c1-20(2)16(9-3-4-10-16)12-19-11-13-5-7-14(8-6-13)21-15(17)18/h5-8,15,19H,3-4,9-12H2,1-2H3
InChIKeyCLXVMXTWMIJIBP-UHFFFAOYSA-N
XLogP3.25
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-1-[[(4-propan-2-yloxyphenyl)methylamino]methyl]cyclopentan-1-amine
CID 115281280
1-[[[4-(difluoromethyl)phenyl]methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105415633
1-[[1-[4-(difluoromethoxy)phenyl]ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105415471
4-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]-N,N-dimethylaniline
CID 78912341
N,N-dimethyl-1-[[(4-propoxyphenyl)methylamino]methyl]cyclopentan-1-amine
CID 78912486
2-[4-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]phenoxy]acetonitrile
CID 78912493
N,N-dimethyl-1-[[(4-prop-2-enoxyphenyl)methylamino]methyl]cyclobutan-1-amine
CID 105414481
1-[[[4-(difluoromethoxy)phenyl]methylamino]methyl]-3-methylcyclohexan-1-ol
CID 63934756
2-[4-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]phenoxy]acetamide
CID 105415307
1-N-[[4-(difluoromethoxy)phenyl]methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43205421
1-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 79036169
1-[[(4-bromo-3-fluorophenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 81002628

Frequently Asked Questions

What is the IUPAC name of 1-[[[4-(difluoromethoxy)phenyl]methylamino]methyl]-N,N-dimethylcyclopentan-1-amine?
The IUPAC name of 1-[[[4-(difluoromethoxy)phenyl]methylamino]methyl]-N,N-dimethylcyclopentan-1-amine (CID 78912474) is 1-[[[4-(difluoromethoxy)phenyl]methylamino]methyl]-N,N-dimethylcyclopentan-1-amine.
What is the SMILES notation for 1-[[[4-(difluoromethoxy)phenyl]methylamino]methyl]-N,N-dimethylcyclopentan-1-amine?
The canonical SMILES for 1-[[[4-(difluoromethoxy)phenyl]methylamino]methyl]-N,N-dimethylcyclopentan-1-amine is CN(C)C1(CNCc2ccc(OC(F)F)cc2)CCCC1.
What is the InChIKey of 1-[[[4-(difluoromethoxy)phenyl]methylamino]methyl]-N,N-dimethylcyclopentan-1-amine?
The InChIKey is CLXVMXTWMIJIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2O/c1-20(2)16(9-3-4-10-16)12-19-11-13-5-7-14(8-6-13)21-15(17)18/h5-8,15,19H,3-4,9-12H2,1-2H3.
What are the key properties of 1-[[[4-(difluoromethoxy)phenyl]methylamino]methyl]-N,N-dimethylcyclopentan-1-amine?
1-[[[4-(difluoromethoxy)phenyl]methylamino]methyl]-N,N-dimethylcyclopentan-1-amine has a molecular weight of 298.38 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[4-(difluoromethoxy)phenyl]methylamino]methyl]-N,N-dimethylcyclopentan-1-amine is sourced from PubChem (CID 78912474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).