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

C14H13ClFNO — CID 79701060

IUPAC(4-chloro-3-methoxyphenyl)-(4-fluorophenyl)methanamine
SMILESCOc1cc(C(N)c2ccc(F)cc2)ccc1Cl
InChIInChI=1S/C14H13ClFNO/c1-18-13-8-10(4-7-12(13)15)14(17)9-2-5-11(16)6-3-9/h2-8,14H,17H2,1H3
InChIKeyPHSHSALVQSRAEF-UHFFFAOYSA-N
MW265.72 g/mol
LogP3.54
Rot. Bonds3

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

(4-chloro-3-methoxyphenyl)-(4-fluorophenyl)methanamine (PubChem CID 79701060) has the molecular formula C14H13ClFNO and a molecular weight of 265.72 g/mol. Its IUPAC name is (4-chloro-3-methoxyphenyl)-(4-fluorophenyl)methanamine.

Molecular Properties

Compound Name(4-chloro-3-methoxyphenyl)-(4-fluorophenyl)methanamine
PubChem CID79701060
Molecular FormulaC14H13ClFNO
Molecular Weight265.72 g/mol
Exact Mass265.07
IUPAC Name(4-chloro-3-methoxyphenyl)-(4-fluorophenyl)methanamine
SMILESCOc1cc(C(N)c2ccc(F)cc2)ccc1Cl
InChIInChI=1S/C14H13ClFNO/c1-18-13-8-10(4-7-12(13)15)14(17)9-2-5-11(16)6-3-9/h2-8,14H,17H2,1H3
InChIKeyPHSHSALVQSRAEF-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chloro-3-methoxyphenyl)-(4-propan-2-ylphenyl)methanamine
CID 79700112
(4-tert-butylphenyl)-(4-chloro-3-methoxyphenyl)methanamine
CID 105007084
(4-chloro-3-methoxyphenyl)-(3,4-dimethylphenyl)methanamine
CID 105006817
(4-chloro-3-methoxyphenyl)-(3,5-dichlorophenyl)methanamine
CID 105007027
(4-fluorophenyl)-(3,4,5-trimethoxyphenyl)methanamine
CID 24688997
(4-chloro-3-fluorophenyl)-(3,4-dimethoxyphenyl)methanamine
CID 107992884
(3,4-dichlorophenyl)-(4-fluorophenyl)methanamine
CID 43184820
1-chloro-4-(difluoromethyl)-2-methoxybenzene
CID 84664383
1-(4-chloro-3-methoxyphenyl)-2-(3,5-difluorophenyl)ethanamine
CID 79700846
(4-chloro-3-fluorophenyl)-(2-methoxyphenyl)methanamine
CID 107991958
1-(4-chloro-3-methoxyphenyl)-2,2-dimethoxyethanamine
CID 79698300
(S)-(4-chloro-3-methoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171211135

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methoxyphenyl)-(4-fluorophenyl)methanamine?
The IUPAC name of (4-chloro-3-methoxyphenyl)-(4-fluorophenyl)methanamine (CID 79701060) is (4-chloro-3-methoxyphenyl)-(4-fluorophenyl)methanamine.
What is the SMILES notation for (4-chloro-3-methoxyphenyl)-(4-fluorophenyl)methanamine?
The canonical SMILES for (4-chloro-3-methoxyphenyl)-(4-fluorophenyl)methanamine is COc1cc(C(N)c2ccc(F)cc2)ccc1Cl.
What is the InChIKey of (4-chloro-3-methoxyphenyl)-(4-fluorophenyl)methanamine?
The InChIKey is PHSHSALVQSRAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO/c1-18-13-8-10(4-7-12(13)15)14(17)9-2-5-11(16)6-3-9/h2-8,14H,17H2,1H3.
What are the key properties of (4-chloro-3-methoxyphenyl)-(4-fluorophenyl)methanamine?
(4-chloro-3-methoxyphenyl)-(4-fluorophenyl)methanamine has a molecular weight of 265.72 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methoxyphenyl)-(4-fluorophenyl)methanamine is sourced from PubChem (CID 79701060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).