(3-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine

C14H13ClFNO — CID 82808205

IUPAC(3-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
SMILESCOc1cccc(C(N)c2cccc(Cl)c2)c1F
InChIInChI=1S/C14H13ClFNO/c1-18-12-7-3-6-11(13(12)16)14(17)9-4-2-5-10(15)8-9/h2-8,14H,17H2,1H3
InChIKeyDIRBGKNKHMGESV-UHFFFAOYSA-N
MW265.72 g/mol
LogP3.54
Rot. Bonds3

About (3-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine

(3-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine (PubChem CID 82808205) has the molecular formula C14H13ClFNO and a molecular weight of 265.72 g/mol. Its IUPAC name is (3-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(3-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
PubChem CID82808205
Molecular FormulaC14H13ClFNO
Molecular Weight265.72 g/mol
Exact Mass265.07
IUPAC Name(3-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
SMILESCOc1cccc(C(N)c2cccc(Cl)c2)c1F
InChIInChI=1S/C14H13ClFNO/c1-18-12-7-3-6-11(13(12)16)14(17)9-4-2-5-10(15)8-9/h2-8,14H,17H2,1H3
InChIKeyDIRBGKNKHMGESV-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

(5-chloro-2-methoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 105024912
(4-chloro-3-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 107994800
(3,4-dimethylphenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 105024853
(3-chlorophenyl)-(2,4,5-trimethoxyphenyl)methanamine
CID 115811290
(5-chloro-2-methylphenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 105024991
[3-(difluoromethoxy)phenyl]-(2-fluoro-3-methoxyphenyl)methanamine
CID 105025170
(3-chloro-2-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 82808026
(2-fluoro-3-methoxyphenyl)-naphthalen-2-ylmethanamine
CID 82793131
(4-chloro-2,5-difluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 105024829
(2-fluoro-3-methoxyphenyl)-(2-methoxyphenyl)methanamine
CID 82808424
(2-fluoro-3-methoxyphenyl)-pyridin-4-ylmethanamine
CID 82807035
2,3-dihydro-1,4-benzodioxin-6-yl-(2-fluoro-3-methoxyphenyl)methanamine
CID 105024896

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine?
The IUPAC name of (3-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine (CID 82808205) is (3-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine.
What is the SMILES notation for (3-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine?
The canonical SMILES for (3-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine is COc1cccc(C(N)c2cccc(Cl)c2)c1F.
What is the InChIKey of (3-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine?
The InChIKey is DIRBGKNKHMGESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO/c1-18-12-7-3-6-11(13(12)16)14(17)9-4-2-5-10(15)8-9/h2-8,14H,17H2,1H3.
What are the key properties of (3-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine?
(3-chlorophenyl)-(2-fluoro-3-methoxyphenyl)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 (3-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine is sourced from PubChem (CID 82808205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).