1-(3,4-difluorophenyl)-3-(1-methoxycyclobutyl)propan-2-amine

C14H19F2NO — CID 103556970

IUPAC1-(3,4-difluorophenyl)-3-(1-methoxycyclobutyl)propan-2-amine
SMILESCOC1(CC(N)Cc2ccc(F)c(F)c2)CCC1
InChIInChI=1S/C14H19F2NO/c1-18-14(5-2-6-14)9-11(17)7-10-3-4-12(15)13(16)8-10/h3-4,8,11H,2,5-7,9,17H2,1H3
InChIKeyNOOQPOHYCQRWCS-UHFFFAOYSA-N
MW255.31 g/mol
LogP2.79
Rot. Bonds5

About 1-(3,4-difluorophenyl)-3-(1-methoxycyclobutyl)propan-2-amine

1-(3,4-difluorophenyl)-3-(1-methoxycyclobutyl)propan-2-amine (PubChem CID 103556970) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-3-(1-methoxycyclobutyl)propan-2-amine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-3-(1-methoxycyclobutyl)propan-2-amine
PubChem CID103556970
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name1-(3,4-difluorophenyl)-3-(1-methoxycyclobutyl)propan-2-amine
SMILESCOC1(CC(N)Cc2ccc(F)c(F)c2)CCC1
InChIInChI=1S/C14H19F2NO/c1-18-14(5-2-6-14)9-11(17)7-10-3-4-12(15)13(16)8-10/h3-4,8,11H,2,5-7,9,17H2,1H3
InChIKeyNOOQPOHYCQRWCS-UHFFFAOYSA-N
XLogP2.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-3-fluorophenyl)-3-(1-methoxycyclobutyl)propan-2-amine
CID 107891592
1-(2,3-dihydro-1H-inden-5-yl)-3-(1-methoxycyclobutyl)propan-2-amine
CID 103559393
1-(3,4-difluorophenyl)-3-(1-methoxycyclobutyl)-N-propylpropan-2-amine
CID 103556973
1-(furan-2-yl)-3-(1-methoxycyclobutyl)propan-2-amine
CID 103559759
1-(1-methoxycyclobutyl)-3-thiophen-2-ylpropan-2-amine
CID 103556889
2-(3,4-difluorophenyl)-1-(1-methoxycycloheptyl)ethanol
CID 116755817
1-(1-methoxycyclobutyl)-3-(2-methoxy-5-methylphenyl)propan-2-amine
CID 103559132
1-(5-bromo-2-methoxyphenyl)-3-(1-methoxycyclobutyl)propan-2-amine
CID 103559107
1-(3-bromo-4-methoxyphenyl)-3-(3,4-difluorophenyl)propan-2-amine
CID 115818090
2-(4-chloro-3-fluorophenyl)-1-(1-methoxycyclobutyl)ethanamine
CID 107885160
1-methoxy-3-(1-methoxycyclobutyl)propan-2-amine
CID 103559585
2-(3,4-difluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol
CID 116755577

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-3-(1-methoxycyclobutyl)propan-2-amine?
The IUPAC name of 1-(3,4-difluorophenyl)-3-(1-methoxycyclobutyl)propan-2-amine (CID 103556970) is 1-(3,4-difluorophenyl)-3-(1-methoxycyclobutyl)propan-2-amine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-3-(1-methoxycyclobutyl)propan-2-amine?
The canonical SMILES for 1-(3,4-difluorophenyl)-3-(1-methoxycyclobutyl)propan-2-amine is COC1(CC(N)Cc2ccc(F)c(F)c2)CCC1.
What is the InChIKey of 1-(3,4-difluorophenyl)-3-(1-methoxycyclobutyl)propan-2-amine?
The InChIKey is NOOQPOHYCQRWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-18-14(5-2-6-14)9-11(17)7-10-3-4-12(15)13(16)8-10/h3-4,8,11H,2,5-7,9,17H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-3-(1-methoxycyclobutyl)propan-2-amine?
1-(3,4-difluorophenyl)-3-(1-methoxycyclobutyl)propan-2-amine has a molecular weight of 255.31 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-3-(1-methoxycyclobutyl)propan-2-amine is sourced from PubChem (CID 103556970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).