[3-chloro-2-[(4-fluoro-2-methylphenyl)methoxy]phenyl]methanamine

C15H15ClFNO — CID 114345832

IUPAC[3-chloro-2-[(4-fluoro-2-methylphenyl)methoxy]phenyl]methanamine
SMILESCc1cc(F)ccc1COc1c(Cl)cccc1CN
InChIInChI=1S/C15H15ClFNO/c1-10-7-13(17)6-5-12(10)9-19-15-11(8-18)3-2-4-14(15)16/h2-7H,8-9,18H2,1H3
InChIKeyCBSUUBJWOOKJSF-UHFFFAOYSA-N
MW279.74 g/mol
LogP3.83
Rot. Bonds4

About [3-chloro-2-[(4-fluoro-2-methylphenyl)methoxy]phenyl]methanamine

[3-chloro-2-[(4-fluoro-2-methylphenyl)methoxy]phenyl]methanamine (PubChem CID 114345832) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is [3-chloro-2-[(4-fluoro-2-methylphenyl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-chloro-2-[(4-fluoro-2-methylphenyl)methoxy]phenyl]methanamine
PubChem CID114345832
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name[3-chloro-2-[(4-fluoro-2-methylphenyl)methoxy]phenyl]methanamine
SMILESCc1cc(F)ccc1COc1c(Cl)cccc1CN
InChIInChI=1S/C15H15ClFNO/c1-10-7-13(17)6-5-12(10)9-19-15-11(8-18)3-2-4-14(15)16/h2-7H,8-9,18H2,1H3
InChIKeyCBSUUBJWOOKJSF-UHFFFAOYSA-N
XLogP3.83
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.74
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-chloro-2-[(4-fluoro-2-methylphenyl)methoxy]phenyl]-N-methylmethanamine
CID 114345835
[2-[(2,4-difluorophenyl)methoxy]-3-methylphenyl]methanamine
CID 112607460
[2-[(4-bromo-2-fluorophenyl)methoxy]-3-chlorophenyl]methanamine
CID 112607867
[3-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methanamine
CID 61389545
[3-chloro-2-[(3-methylphenyl)methoxy]phenyl]methanamine
CID 112607698
[2-[(5-bromo-2-fluorophenyl)methoxy]-3-chlorophenyl]methanamine
CID 112607692
[3-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methanamine
CID 112607809
[3-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methanamine
CID 112607574
2-[4-[(4-fluoro-2-methylphenyl)methoxy]-3,5-dimethylphenyl]ethanamine
CID 114348464
[3-chloro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methanamine
CID 112607840
[3-chloro-2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]methanamine
CID 115951928
[3-chloro-2-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]methanamine
CID 115951940

Frequently Asked Questions

What is the IUPAC name of [3-chloro-2-[(4-fluoro-2-methylphenyl)methoxy]phenyl]methanamine?
The IUPAC name of [3-chloro-2-[(4-fluoro-2-methylphenyl)methoxy]phenyl]methanamine (CID 114345832) is [3-chloro-2-[(4-fluoro-2-methylphenyl)methoxy]phenyl]methanamine.
What is the SMILES notation for [3-chloro-2-[(4-fluoro-2-methylphenyl)methoxy]phenyl]methanamine?
The canonical SMILES for [3-chloro-2-[(4-fluoro-2-methylphenyl)methoxy]phenyl]methanamine is Cc1cc(F)ccc1COc1c(Cl)cccc1CN.
What is the InChIKey of [3-chloro-2-[(4-fluoro-2-methylphenyl)methoxy]phenyl]methanamine?
The InChIKey is CBSUUBJWOOKJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c1-10-7-13(17)6-5-12(10)9-19-15-11(8-18)3-2-4-14(15)16/h2-7H,8-9,18H2,1H3.
What are the key properties of [3-chloro-2-[(4-fluoro-2-methylphenyl)methoxy]phenyl]methanamine?
[3-chloro-2-[(4-fluoro-2-methylphenyl)methoxy]phenyl]methanamine has a molecular weight of 279.74 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-2-[(4-fluoro-2-methylphenyl)methoxy]phenyl]methanamine is sourced from PubChem (CID 114345832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).