3-tert-butyl-1-[4-(difluoromethoxy)phenyl]cyclobutan-1-amine

C15H21F2NO — CID 65014563

IUPAC3-tert-butyl-1-[4-(difluoromethoxy)phenyl]cyclobutan-1-amine
SMILESCC(C)(C)C1CC(N)(c2ccc(OC(F)F)cc2)C1
InChIInChI=1S/C15H21F2NO/c1-14(2,3)11-8-15(18,9-11)10-4-6-12(7-5-10)19-13(16)17/h4-7,11,13H,8-9,18H2,1-3H3
InChIKeyUHXOTPCUZSZALT-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.90
Rot. Bonds3

About 3-tert-butyl-1-[4-(difluoromethoxy)phenyl]cyclobutan-1-amine

3-tert-butyl-1-[4-(difluoromethoxy)phenyl]cyclobutan-1-amine (PubChem CID 65014563) has the molecular formula C15H21F2NO and a molecular weight of 269.34 g/mol. Its IUPAC name is 3-tert-butyl-1-[4-(difluoromethoxy)phenyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-tert-butyl-1-[4-(difluoromethoxy)phenyl]cyclobutan-1-amine
PubChem CID65014563
Molecular FormulaC15H21F2NO
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name3-tert-butyl-1-[4-(difluoromethoxy)phenyl]cyclobutan-1-amine
SMILESCC(C)(C)C1CC(N)(c2ccc(OC(F)F)cc2)C1
InChIInChI=1S/C15H21F2NO/c1-14(2,3)11-8-15(18,9-11)10-4-6-12(7-5-10)19-13(16)17/h4-7,11,13H,8-9,18H2,1-3H3
InChIKeyUHXOTPCUZSZALT-UHFFFAOYSA-N
XLogP3.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(difluoromethoxy)phenyl]oxan-3-amine
CID 154814534
3,5-dimethyl-1-(4-propan-2-yloxyphenyl)cyclohexan-1-amine
CID 64751453
2-amino-2-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]propanamide
CID 61250290
4-tert-butyl-1-(4-methoxyphenyl)cycloheptan-1-amine
CID 65090015
cis-(1R,2R)-2-[4-(difluoromethoxy)phenyl]cyclopropan-1-amine
CID 51888254
4-propan-2-yl-1-(4-propan-2-yloxyphenyl)cyclohexan-1-amine
CID 63411885
[3-tert-butyl-1-[4-(2-methylpropoxy)phenyl]cyclobutyl]methanamine
CID 65016920
[1-[4-(difluoromethoxy)phenyl]-2-methylcyclopentyl]methanamine
CID 79679892
4-(difluoromethoxy)aniline
CID 737363
2-amino-2-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide
CID 60938157
[1-[4-(difluoromethoxy)phenyl]cycloheptyl]methanamine
CID 28937862
1-(4-methoxyphenyl)-3,5-dimethylcyclohexan-1-amine
CID 64751441

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-[4-(difluoromethoxy)phenyl]cyclobutan-1-amine?
The IUPAC name of 3-tert-butyl-1-[4-(difluoromethoxy)phenyl]cyclobutan-1-amine (CID 65014563) is 3-tert-butyl-1-[4-(difluoromethoxy)phenyl]cyclobutan-1-amine.
What is the SMILES notation for 3-tert-butyl-1-[4-(difluoromethoxy)phenyl]cyclobutan-1-amine?
The canonical SMILES for 3-tert-butyl-1-[4-(difluoromethoxy)phenyl]cyclobutan-1-amine is CC(C)(C)C1CC(N)(c2ccc(OC(F)F)cc2)C1.
What is the InChIKey of 3-tert-butyl-1-[4-(difluoromethoxy)phenyl]cyclobutan-1-amine?
The InChIKey is UHXOTPCUZSZALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-14(2,3)11-8-15(18,9-11)10-4-6-12(7-5-10)19-13(16)17/h4-7,11,13H,8-9,18H2,1-3H3.
What are the key properties of 3-tert-butyl-1-[4-(difluoromethoxy)phenyl]cyclobutan-1-amine?
3-tert-butyl-1-[4-(difluoromethoxy)phenyl]cyclobutan-1-amine has a molecular weight of 269.34 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-[4-(difluoromethoxy)phenyl]cyclobutan-1-amine is sourced from PubChem (CID 65014563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).