[5-chloro-2-(3-methoxyphenyl)phenyl]methanamine

C14H14ClNO — CID 66160491

IUPAC[5-chloro-2-(3-methoxyphenyl)phenyl]methanamine
SMILESCOc1cccc(-c2ccc(Cl)cc2CN)c1
InChIInChI=1S/C14H14ClNO/c1-17-13-4-2-3-10(8-13)14-6-5-12(15)7-11(14)9-16/h2-8H,9,16H2,1H3
InChIKeyHKXAJWWYBJTFIA-UHFFFAOYSA-N
MW247.73 g/mol
LogP3.47
Rot. Bonds3

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

[5-chloro-2-(3-methoxyphenyl)phenyl]methanamine (PubChem CID 66160491) has the molecular formula C14H14ClNO and a molecular weight of 247.73 g/mol. Its IUPAC name is [5-chloro-2-(3-methoxyphenyl)phenyl]methanamine.

Molecular Properties

Compound Name[5-chloro-2-(3-methoxyphenyl)phenyl]methanamine
PubChem CID66160491
Molecular FormulaC14H14ClNO
Molecular Weight247.73 g/mol
Exact Mass247.08
IUPAC Name[5-chloro-2-(3-methoxyphenyl)phenyl]methanamine
SMILESCOc1cccc(-c2ccc(Cl)cc2CN)c1
InChIInChI=1S/C14H14ClNO/c1-17-13-4-2-3-10(8-13)14-6-5-12(15)7-11(14)9-16/h2-8H,9,16H2,1H3
InChIKeyHKXAJWWYBJTFIA-UHFFFAOYSA-N
XLogP3.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-chloro-2-(3-methoxyphenoxy)phenyl]methanamine
CID 63082834
5-chloro-2-(3-methoxyphenyl)benzoic acid
CID 39232676
[5-chloro-2-(2-methoxyphenyl)phenyl]methanamine
CID 66160291
[2-(3-chloro-5-fluorophenyl)-5-methoxyphenyl]methanamine
CID 114078570
[5-chloro-2-(6-methoxy-3-pyridinyl)phenyl]methanamine
CID 66159518
[2-(3-methoxyphenyl)-3-pyridinyl]methanamine
CID 82508828
2-[5-chloro-2-(3-methoxyphenoxy)phenyl]ethanamine
CID 114862794
[2-[2-(aminomethyl)-4-chlorophenyl]phenyl]methanamine
CID 143648199
[4-(3-methoxyphenyl)phenyl]methanamine;hydrochloride
CID 71432523
[5-(2,4-dichlorophenyl)-2,6-bis(4-methoxyphenyl)-3-pyridinyl]methanamine
CID 69347292
2-chloro-1-(3-methoxyphenyl)-4-phenylbenzene
CID 173255261
1,3,5-trichloro-2-(3-methoxyphenyl)benzene
CID 57304526

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(3-methoxyphenyl)phenyl]methanamine?
The IUPAC name of [5-chloro-2-(3-methoxyphenyl)phenyl]methanamine (CID 66160491) is [5-chloro-2-(3-methoxyphenyl)phenyl]methanamine.
What is the SMILES notation for [5-chloro-2-(3-methoxyphenyl)phenyl]methanamine?
The canonical SMILES for [5-chloro-2-(3-methoxyphenyl)phenyl]methanamine is COc1cccc(-c2ccc(Cl)cc2CN)c1.
What is the InChIKey of [5-chloro-2-(3-methoxyphenyl)phenyl]methanamine?
The InChIKey is HKXAJWWYBJTFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO/c1-17-13-4-2-3-10(8-13)14-6-5-12(15)7-11(14)9-16/h2-8H,9,16H2,1H3.
What are the key properties of [5-chloro-2-(3-methoxyphenyl)phenyl]methanamine?
[5-chloro-2-(3-methoxyphenyl)phenyl]methanamine has a molecular weight of 247.73 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(3-methoxyphenyl)phenyl]methanamine is sourced from PubChem (CID 66160491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).