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

C14H19ClFNO — CID 107891592

IUPAC1-(4-chloro-3-fluorophenyl)-3-(1-methoxycyclobutyl)propan-2-amine
SMILESCOC1(CC(N)Cc2ccc(Cl)c(F)c2)CCC1
InChIInChI=1S/C14H19ClFNO/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
InChIKeyIZSYJDLVYHIEPW-UHFFFAOYSA-N
MW271.76 g/mol
LogP3.31
Rot. Bonds5

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

1-(4-chloro-3-fluorophenyl)-3-(1-methoxycyclobutyl)propan-2-amine (PubChem CID 107891592) has the molecular formula C14H19ClFNO and a molecular weight of 271.76 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-3-(1-methoxycyclobutyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-3-(1-methoxycyclobutyl)propan-2-amine
PubChem CID107891592
Molecular FormulaC14H19ClFNO
Molecular Weight271.76 g/mol
Exact Mass271.11
IUPAC Name1-(4-chloro-3-fluorophenyl)-3-(1-methoxycyclobutyl)propan-2-amine
SMILESCOC1(CC(N)Cc2ccc(Cl)c(F)c2)CCC1
InChIInChI=1S/C14H19ClFNO/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
InChIKeyIZSYJDLVYHIEPW-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

1-(3,4-difluorophenyl)-3-(1-methoxycyclobutyl)propan-2-amine
CID 103556970
2-(4-chloro-3-fluorophenyl)-1-(1-methoxycyclobutyl)ethanamine
CID 107885160
1-(2,3-dihydro-1H-inden-5-yl)-3-(1-methoxycyclobutyl)propan-2-amine
CID 103559393
1-(4-chloro-3-fluorophenyl)-3-methoxypropan-2-amine
CID 107884589
1-(4-chloro-3-fluorophenyl)-3-methoxybutan-2-amine
CID 107884948
1-(4-chloro-3-fluorophenyl)-5-methoxypentan-2-amine
CID 107884756
methyl (2S)-2-amino-3-(4-chloro-3-fluorophenyl)propanoate
CID 67966222
1-(4-chloro-3-fluorophenyl)-4-(4-methoxyphenyl)butan-2-amine
CID 107892055
2-(4-chloro-3-fluorophenyl)-1-(2-methylcyclopropyl)ethanamine
CID 107884841
1-(4-chloro-3-fluorophenyl)-3-methylbutan-2-amine
CID 115347398
1-(3,4-difluorophenyl)-3-(1-methoxycyclobutyl)-N-propylpropan-2-amine
CID 103556973
1-(4-chloro-3-fluorophenyl)-3-(2,6-dichlorophenyl)propan-2-amine
CID 107884616

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-3-(1-methoxycyclobutyl)propan-2-amine?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-3-(1-methoxycyclobutyl)propan-2-amine (CID 107891592) is 1-(4-chloro-3-fluorophenyl)-3-(1-methoxycyclobutyl)propan-2-amine.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-3-(1-methoxycyclobutyl)propan-2-amine?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-3-(1-methoxycyclobutyl)propan-2-amine is COC1(CC(N)Cc2ccc(Cl)c(F)c2)CCC1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-3-(1-methoxycyclobutyl)propan-2-amine?
The InChIKey is IZSYJDLVYHIEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO/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-(4-chloro-3-fluorophenyl)-3-(1-methoxycyclobutyl)propan-2-amine?
1-(4-chloro-3-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-3-fluorophenyl)-3-(1-methoxycyclobutyl)propan-2-amine is sourced from PubChem (CID 107891592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).