1-(4-chloro-2-fluorophenyl)-3-(1-methoxycyclobutyl)propan-2-amine

C14H19ClFNO — CID 103559970

IUPAC1-(4-chloro-2-fluorophenyl)-3-(1-methoxycyclobutyl)propan-2-amine
SMILESCOC1(CC(N)Cc2ccc(Cl)cc2F)CCC1
InChIInChI=1S/C14H19ClFNO/c1-18-14(5-2-6-14)9-12(17)7-10-3-4-11(15)8-13(10)16/h3-4,8,12H,2,5-7,9,17H2,1H3
InChIKeyJEFYFBMDCDZIRG-UHFFFAOYSA-N
MW271.76 g/mol
LogP3.31
Rot. Bonds5

About 1-(4-chloro-2-fluorophenyl)-3-(1-methoxycyclobutyl)propan-2-amine

1-(4-chloro-2-fluorophenyl)-3-(1-methoxycyclobutyl)propan-2-amine (PubChem CID 103559970) has the molecular formula C14H19ClFNO and a molecular weight of 271.76 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-3-(1-methoxycyclobutyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-3-(1-methoxycyclobutyl)propan-2-amine
PubChem CID103559970
Molecular FormulaC14H19ClFNO
Molecular Weight271.76 g/mol
Exact Mass271.11
IUPAC Name1-(4-chloro-2-fluorophenyl)-3-(1-methoxycyclobutyl)propan-2-amine
SMILESCOC1(CC(N)Cc2ccc(Cl)cc2F)CCC1
InChIInChI=1S/C14H19ClFNO/c1-18-14(5-2-6-14)9-12(17)7-10-3-4-11(15)8-13(10)16/h3-4,8,12H,2,5-7,9,17H2,1H3
InChIKeyJEFYFBMDCDZIRG-UHFFFAOYSA-N
XLogP3.31
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.76
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-Chlorophenyl)-5-methoxypentan-1-amine
CID 79441976
1-(3-Fluorophenyl)-4-methoxy-4-methylpentan-2-amine
CID 103024897
1-(2-Chloro-6-fluorophenyl)-4-methoxy-4-methylpentan-2-amine
CID 103024949
1-(2-chloro-6-fluorophenyl)-4-methoxy-N,4-dimethylpentan-2-amine
CID 103024950
1-(2-chloro-6-fluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-2-amine
CID 103024951
1-(2-chloro-6-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine
CID 103024952
1-(2,4-Difluorophenyl)-4-methoxy-4-methylpentan-2-amine
CID 103025004
[1-(2-Chloro-6-fluorophenyl)-4-methoxy-4-methylpentan-2-yl]hydrazine
CID 103025206
[1-(4-Chloro-2-fluorophenyl)-3-methoxy-3-methylbutyl]hydrazine
CID 103025440
[1-(2-Chloro-3-fluorophenyl)-4-methoxy-4-methylpentan-2-yl]hydrazine
CID 103025467
[1-(4-Chloro-2-fluorophenyl)-4-methoxy-4-methylpentan-2-yl]hydrazine
CID 103025525
[1-(2-Chloro-5-fluorophenyl)-4-methoxy-4-methylpentan-2-yl]hydrazine
CID 103025530

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-3-(1-methoxycyclobutyl)propan-2-amine?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-3-(1-methoxycyclobutyl)propan-2-amine (CID 103559970) is 1-(4-chloro-2-fluorophenyl)-3-(1-methoxycyclobutyl)propan-2-amine.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-3-(1-methoxycyclobutyl)propan-2-amine?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-3-(1-methoxycyclobutyl)propan-2-amine is COC1(CC(N)Cc2ccc(Cl)cc2F)CCC1.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-3-(1-methoxycyclobutyl)propan-2-amine?
The InChIKey is JEFYFBMDCDZIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO/c1-18-14(5-2-6-14)9-12(17)7-10-3-4-11(15)8-13(10)16/h3-4,8,12H,2,5-7,9,17H2,1H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-3-(1-methoxycyclobutyl)propan-2-amine?
1-(4-chloro-2-fluorophenyl)-3-(1-methoxycyclobutyl)propan-2-amine has a molecular weight of 271.76 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-3-(1-methoxycyclobutyl)propan-2-amine is sourced from PubChem (CID 103559970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).