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

C15H16ClNO — CID 112607698

IUPAC[3-chloro-2-[(3-methylphenyl)methoxy]phenyl]methanamine
SMILESCc1cccc(COc2c(Cl)cccc2CN)c1
InChIInChI=1S/C15H16ClNO/c1-11-4-2-5-12(8-11)10-18-15-13(9-17)6-3-7-14(15)16/h2-8H,9-10,17H2,1H3
InChIKeyUNYCTICOORLWAJ-UHFFFAOYSA-N
MW261.75 g/mol
LogP3.69
Rot. Bonds4

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

[3-chloro-2-[(3-methylphenyl)methoxy]phenyl]methanamine (PubChem CID 112607698) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is [3-chloro-2-[(3-methylphenyl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-chloro-2-[(3-methylphenyl)methoxy]phenyl]methanamine
PubChem CID112607698
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name[3-chloro-2-[(3-methylphenyl)methoxy]phenyl]methanamine
SMILESCc1cccc(COc2c(Cl)cccc2CN)c1
InChIInChI=1S/C15H16ClNO/c1-11-4-2-5-12(8-11)10-18-15-13(9-17)6-3-7-14(15)16/h2-8H,9-10,17H2,1H3
InChIKeyUNYCTICOORLWAJ-UHFFFAOYSA-N
XLogP3.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-chloro-2-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]methanamine
CID 115951940
[3-chloro-2-[(3,5-dimethylphenyl)methoxy]phenyl]methanol
CID 112612639
[3-chloro-2-[(4-fluoro-2-methylphenyl)methoxy]phenyl]methanamine
CID 114345832
2-[3-fluoro-2-[(3-methylphenyl)methoxy]phenyl]ethanamine
CID 112615255
[3-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methanamine
CID 112607574
[3-chloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanamine
CID 112607696
3-[[2-(aminomethyl)-6-methylphenoxy]methyl]phenol
CID 112607358
[3-chloro-2-[(3-fluoro-4-nitrophenyl)methoxy]phenyl]methanamine
CID 115951977
[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
2-[3-chloro-2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine
CID 115957754
[3-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methanamine
CID 112607809

Frequently Asked Questions

What is the IUPAC name of [3-chloro-2-[(3-methylphenyl)methoxy]phenyl]methanamine?
The IUPAC name of [3-chloro-2-[(3-methylphenyl)methoxy]phenyl]methanamine (CID 112607698) is [3-chloro-2-[(3-methylphenyl)methoxy]phenyl]methanamine.
What is the SMILES notation for [3-chloro-2-[(3-methylphenyl)methoxy]phenyl]methanamine?
The canonical SMILES for [3-chloro-2-[(3-methylphenyl)methoxy]phenyl]methanamine is Cc1cccc(COc2c(Cl)cccc2CN)c1.
What is the InChIKey of [3-chloro-2-[(3-methylphenyl)methoxy]phenyl]methanamine?
The InChIKey is UNYCTICOORLWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-11-4-2-5-12(8-11)10-18-15-13(9-17)6-3-7-14(15)16/h2-8H,9-10,17H2,1H3.
What are the key properties of [3-chloro-2-[(3-methylphenyl)methoxy]phenyl]methanamine?
[3-chloro-2-[(3-methylphenyl)methoxy]phenyl]methanamine has a molecular weight of 261.75 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-2-[(3-methylphenyl)methoxy]phenyl]methanamine is sourced from PubChem (CID 112607698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).