N-[(2-chloro-6-fluorophenyl)methyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine

C14H19ClFNO — CID 103743110

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine
SMILESCOC1CC(NCc2c(F)cccc2Cl)C1(C)C
InChIInChI=1S/C14H19ClFNO/c1-14(2)12(7-13(14)18-3)17-8-9-10(15)5-4-6-11(9)16/h4-6,12-13,17H,7-8H2,1-3H3
InChIKeyVOYKEXUUSZDEAY-UHFFFAOYSA-N
MW271.76 g/mol
LogP3.38
Rot. Bonds4

About N-[(2-chloro-6-fluorophenyl)methyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine

N-[(2-chloro-6-fluorophenyl)methyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine (PubChem CID 103743110) has the molecular formula C14H19ClFNO and a molecular weight of 271.76 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine
PubChem CID103743110
Molecular FormulaC14H19ClFNO
Molecular Weight271.76 g/mol
Exact Mass271.11
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine
SMILESCOC1CC(NCc2c(F)cccc2Cl)C1(C)C
InChIInChI=1S/C14H19ClFNO/c1-14(2)12(7-13(14)18-3)17-8-9-10(15)5-4-6-11(9)16/h4-6,12-13,17H,7-8H2,1-3H3
InChIKeyVOYKEXUUSZDEAY-UHFFFAOYSA-N
XLogP3.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.76
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-chloro-6-fluorophenyl)methylamino]-2,2-dimethylcyclobutan-1-ol
CID 115976632
N-[(2-chloro-6-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79861477
N-[(2-chloro-6-fluorophenyl)methyl]-3-methylcyclopentan-1-amine
CID 115652971
3-methoxy-2,2-dimethyl-N-(1H-pyrrol-2-ylmethyl)cyclobutan-1-amine
CID 103578692
N-[(3-iodophenyl)methyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine
CID 114282912
N-[(2-chloro-6-fluorophenyl)methyl]cycloheptanamine
CID 4720325
3-methoxy-2,2-dimethyl-N-[(2-nitrophenyl)methyl]cyclobutan-1-amine
CID 103743244
3-methoxy-2,2-dimethyl-N-(thiophen-3-ylmethyl)cyclobutan-1-amine
CID 103743184
6-[[(3-methoxy-2,2-dimethylcyclobutyl)amino]methyl]pyridine-2-carboxylic acid
CID 114119978
N-[[4-(difluoromethoxy)phenyl]methyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine
CID 103743145
N-[(2-chloro-6-methoxyphenyl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 104816053
(3S)-N-[(2-chloro-6-fluorophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 834291

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine (CID 103743110) is N-[(2-chloro-6-fluorophenyl)methyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine is COC1CC(NCc2c(F)cccc2Cl)C1(C)C.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine?
The InChIKey is VOYKEXUUSZDEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO/c1-14(2)12(7-13(14)18-3)17-8-9-10(15)5-4-6-11(9)16/h4-6,12-13,17H,7-8H2,1-3H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine?
N-[(2-chloro-6-fluorophenyl)methyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine has a molecular weight of 271.76 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 103743110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).