[5-(4-chloro-3-fluorophenyl)-2-methoxyphenyl]methanamine

C14H13ClFNO — CID 172653750

IUPAC[5-(4-chloro-3-fluorophenyl)-2-methoxyphenyl]methanamine
SMILESCOc1ccc(-c2ccc(Cl)c(F)c2)cc1CN
InChIInChI=1S/C14H13ClFNO/c1-18-14-5-3-9(6-11(14)8-17)10-2-4-12(15)13(16)7-10/h2-7H,8,17H2,1H3
InChIKeyISLULMHSMMJBKX-UHFFFAOYSA-N
MW265.72 g/mol
LogP3.61
Rot. Bonds3

About [5-(4-chloro-3-fluorophenyl)-2-methoxyphenyl]methanamine

[5-(4-chloro-3-fluorophenyl)-2-methoxyphenyl]methanamine (PubChem CID 172653750) has the molecular formula C14H13ClFNO and a molecular weight of 265.72 g/mol. Its IUPAC name is [5-(4-chloro-3-fluorophenyl)-2-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[5-(4-chloro-3-fluorophenyl)-2-methoxyphenyl]methanamine
PubChem CID172653750
Molecular FormulaC14H13ClFNO
Molecular Weight265.72 g/mol
Exact Mass265.07
IUPAC Name[5-(4-chloro-3-fluorophenyl)-2-methoxyphenyl]methanamine
SMILESCOc1ccc(-c2ccc(Cl)c(F)c2)cc1CN
InChIInChI=1S/C14H13ClFNO/c1-18-14-5-3-9(6-11(14)8-17)10-2-4-12(15)13(16)7-10/h2-7H,8,17H2,1H3
InChIKeyISLULMHSMMJBKX-UHFFFAOYSA-N
XLogP3.61
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-(3-fluorophenyl)-2-methoxyphenyl]methanamine
CID 54911914
[5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methoxyphenyl]methanamine
CID 107289743
[5-(2-chloro-4,5-dimethylphenyl)-2-methoxyphenyl]methanamine
CID 115484396
[5-(2-fluorophenyl)-2-methoxyphenyl]methanamine;hydrochloride
CID 171037272
(5-fluoro-2-methoxyphenyl)methanamine
CID 18348829
[5-(5-fluoro-3-pyridinyl)-2-methoxyphenyl]methanamine
CID 54966138
[2-[(4-chloro-3-fluorophenyl)methoxy]-5-methoxyphenyl]methanamine
CID 107878670
[2-(3-chloro-4-methoxyphenyl)-5-fluorophenyl]methanamine
CID 114078458
1-chloro-4-(4-chloro-3-methoxyphenyl)-2-methoxybenzene
CID 800758
[2-methoxy-5-[3-(trifluoromethoxy)phenyl]phenyl]methanamine;hydrochloride
CID 171037282
[5-(4-chlorophenyl)-2,3-dimethoxyphenyl]methanamine
CID 39224816
1,4-dichloro-2-(3-fluoro-4-methoxyphenyl)benzene
CID 119008746

Frequently Asked Questions

What is the IUPAC name of [5-(4-chloro-3-fluorophenyl)-2-methoxyphenyl]methanamine?
The IUPAC name of [5-(4-chloro-3-fluorophenyl)-2-methoxyphenyl]methanamine (CID 172653750) is [5-(4-chloro-3-fluorophenyl)-2-methoxyphenyl]methanamine.
What is the SMILES notation for [5-(4-chloro-3-fluorophenyl)-2-methoxyphenyl]methanamine?
The canonical SMILES for [5-(4-chloro-3-fluorophenyl)-2-methoxyphenyl]methanamine is COc1ccc(-c2ccc(Cl)c(F)c2)cc1CN.
What is the InChIKey of [5-(4-chloro-3-fluorophenyl)-2-methoxyphenyl]methanamine?
The InChIKey is ISLULMHSMMJBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO/c1-18-14-5-3-9(6-11(14)8-17)10-2-4-12(15)13(16)7-10/h2-7H,8,17H2,1H3.
What are the key properties of [5-(4-chloro-3-fluorophenyl)-2-methoxyphenyl]methanamine?
[5-(4-chloro-3-fluorophenyl)-2-methoxyphenyl]methanamine has a molecular weight of 265.72 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chloro-3-fluorophenyl)-2-methoxyphenyl]methanamine is sourced from PubChem (CID 172653750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).