(4-chloro-3-fluorophenyl)-(4-cyclobutylphenyl)methanamine

C17H17ClFN — CID 107995408

IUPAC(4-chloro-3-fluorophenyl)-(4-cyclobutylphenyl)methanamine
SMILESNC(c1ccc(C2CCC2)cc1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C17H17ClFN/c18-15-9-8-14(10-16(15)19)17(20)13-6-4-12(5-7-13)11-2-1-3-11/h4-11,17H,1-3,20H2
InChIKeyVRBQTRGTGRMOMX-UHFFFAOYSA-N
MW289.78 g/mol
LogP4.79
Rot. Bonds3

About (4-chloro-3-fluorophenyl)-(4-cyclobutylphenyl)methanamine

(4-chloro-3-fluorophenyl)-(4-cyclobutylphenyl)methanamine (PubChem CID 107995408) has the molecular formula C17H17ClFN and a molecular weight of 289.78 g/mol. Its IUPAC name is (4-chloro-3-fluorophenyl)-(4-cyclobutylphenyl)methanamine.

Molecular Properties

Compound Name(4-chloro-3-fluorophenyl)-(4-cyclobutylphenyl)methanamine
PubChem CID107995408
Molecular FormulaC17H17ClFN
Molecular Weight289.78 g/mol
Exact Mass289.10
IUPAC Name(4-chloro-3-fluorophenyl)-(4-cyclobutylphenyl)methanamine
SMILESNC(c1ccc(C2CCC2)cc1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C17H17ClFN/c18-15-9-8-14(10-16(15)19)17(20)13-6-4-12(5-7-13)11-2-1-3-11/h4-11,17H,1-3,20H2
InChIKeyVRBQTRGTGRMOMX-UHFFFAOYSA-N
XLogP4.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.78
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-chloro-3-methylphenyl)-(4-cyclobutylphenyl)methanamine
CID 105044946
(4-cyclobutylphenyl)-(4-fluorophenyl)methanamine
CID 116505887
(4-cyclobutylphenyl)-(4-fluoro-3-methoxyphenyl)methanamine
CID 105044855
(4-chloro-3-fluorophenyl)-(3,4-dichlorophenyl)methanamine
CID 107991698
(4-chloro-3-fluorophenyl)-(3,4-difluorophenyl)methanamine
CID 114025088
(R)-(4-chloro-3-fluorophenyl)-cyclobutylmethanamine;hydrochloride
CID 171209453
(4-chloro-3-fluorophenyl)-(3-fluoro-4-methylphenyl)methanamine
CID 107996089
(4-chloro-3-methylphenyl)-(3-cyclobutylphenyl)methanamine
CID 105053710
(4-chloro-3-fluorophenyl)-(4-fluoro-3-methylphenyl)methanamine
CID 114025071
(4-chloro-3-fluorophenyl)-(2-chlorophenyl)methanamine
CID 114024968
(4-cyclobutylphenyl)-(4-methoxyphenyl)methanamine
CID 116505877
(4-cyclohexylphenyl)-(2-fluorophenyl)methanamine
CID 43093339

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-fluorophenyl)-(4-cyclobutylphenyl)methanamine?
The IUPAC name of (4-chloro-3-fluorophenyl)-(4-cyclobutylphenyl)methanamine (CID 107995408) is (4-chloro-3-fluorophenyl)-(4-cyclobutylphenyl)methanamine.
What is the SMILES notation for (4-chloro-3-fluorophenyl)-(4-cyclobutylphenyl)methanamine?
The canonical SMILES for (4-chloro-3-fluorophenyl)-(4-cyclobutylphenyl)methanamine is NC(c1ccc(C2CCC2)cc1)c1ccc(Cl)c(F)c1.
What is the InChIKey of (4-chloro-3-fluorophenyl)-(4-cyclobutylphenyl)methanamine?
The InChIKey is VRBQTRGTGRMOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN/c18-15-9-8-14(10-16(15)19)17(20)13-6-4-12(5-7-13)11-2-1-3-11/h4-11,17H,1-3,20H2.
What are the key properties of (4-chloro-3-fluorophenyl)-(4-cyclobutylphenyl)methanamine?
(4-chloro-3-fluorophenyl)-(4-cyclobutylphenyl)methanamine has a molecular weight of 289.78 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-fluorophenyl)-(4-cyclobutylphenyl)methanamine is sourced from PubChem (CID 107995408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).