1-[[[4-(difluoromethyl)phenyl]methylamino]methyl]-N,N-dimethylcyclobutan-1-amine

C15H22F2N2 — CID 105415633

IUPAC1-[[[4-(difluoromethyl)phenyl]methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
SMILESCN(C)C1(CNCc2ccc(C(F)F)cc2)CCC1
InChIInChI=1S/C15H22F2N2/c1-19(2)15(8-3-9-15)11-18-10-12-4-6-13(7-5-12)14(16)17/h4-7,14,18H,3,8-11H2,1-2H3
InChIKeyVXEQNHGXZYGJIE-UHFFFAOYSA-N
MW268.35 g/mol
LogP3.20
Rot. Bonds6

About 1-[[[4-(difluoromethyl)phenyl]methylamino]methyl]-N,N-dimethylcyclobutan-1-amine

1-[[[4-(difluoromethyl)phenyl]methylamino]methyl]-N,N-dimethylcyclobutan-1-amine (PubChem CID 105415633) has the molecular formula C15H22F2N2 and a molecular weight of 268.35 g/mol. Its IUPAC name is 1-[[[4-(difluoromethyl)phenyl]methylamino]methyl]-N,N-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name1-[[[4-(difluoromethyl)phenyl]methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
PubChem CID105415633
Molecular FormulaC15H22F2N2
Molecular Weight268.35 g/mol
Exact Mass268.18
IUPAC Name1-[[[4-(difluoromethyl)phenyl]methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
SMILESCN(C)C1(CNCc2ccc(C(F)F)cc2)CCC1
InChIInChI=1S/C15H22F2N2/c1-19(2)15(8-3-9-15)11-18-10-12-4-6-13(7-5-12)14(16)17/h4-7,14,18H,3,8-11H2,1-2H3
InChIKeyVXEQNHGXZYGJIE-UHFFFAOYSA-N
XLogP3.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[[4-(difluoromethoxy)phenyl]methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 78912474
4-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]-N,N-dimethylaniline
CID 78912341
1-[4-(difluoromethyl)phenyl]-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine
CID 114078586
N,N-dimethyl-1-[[(4-propan-2-yloxyphenyl)methylamino]methyl]cyclopentan-1-amine
CID 115281280
methyl 4-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]benzoate
CID 105415759
N,N-dimethyl-1-[[(4-prop-2-enoxyphenyl)methylamino]methyl]cyclobutan-1-amine
CID 105414481
N,N-dimethyl-1-[[(4-propoxyphenyl)methylamino]methyl]cyclopentan-1-amine
CID 78912486
N,N-dimethyl-1-[[(3,4,5-trifluorophenyl)methylamino]methyl]cyclobutan-1-amine
CID 105415319
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
1-[[1-[4-(difluoromethoxy)phenyl]ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105415471
N-[[4-(difluoromethyl)phenyl]methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 115523961

Frequently Asked Questions

What is the IUPAC name of 1-[[[4-(difluoromethyl)phenyl]methylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
The IUPAC name of 1-[[[4-(difluoromethyl)phenyl]methylamino]methyl]-N,N-dimethylcyclobutan-1-amine (CID 105415633) is 1-[[[4-(difluoromethyl)phenyl]methylamino]methyl]-N,N-dimethylcyclobutan-1-amine.
What is the SMILES notation for 1-[[[4-(difluoromethyl)phenyl]methylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
The canonical SMILES for 1-[[[4-(difluoromethyl)phenyl]methylamino]methyl]-N,N-dimethylcyclobutan-1-amine is CN(C)C1(CNCc2ccc(C(F)F)cc2)CCC1.
What is the InChIKey of 1-[[[4-(difluoromethyl)phenyl]methylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
The InChIKey is VXEQNHGXZYGJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2/c1-19(2)15(8-3-9-15)11-18-10-12-4-6-13(7-5-12)14(16)17/h4-7,14,18H,3,8-11H2,1-2H3.
What are the key properties of 1-[[[4-(difluoromethyl)phenyl]methylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
1-[[[4-(difluoromethyl)phenyl]methylamino]methyl]-N,N-dimethylcyclobutan-1-amine has a molecular weight of 268.35 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[4-(difluoromethyl)phenyl]methylamino]methyl]-N,N-dimethylcyclobutan-1-amine is sourced from PubChem (CID 105415633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).