3-[(3-chlorophenyl)methyl]-5-methoxy-2-methylaniline

C15H16ClNO — CID 154647621

IUPAC3-[(3-chlorophenyl)methyl]-5-methoxy-2-methylaniline
SMILESCOc1cc(N)c(C)c(Cc2cccc(Cl)c2)c1
InChIInChI=1S/C15H16ClNO/c1-10-12(8-14(18-2)9-15(10)17)6-11-4-3-5-13(16)7-11/h3-5,7-9H,6,17H2,1-2H3
InChIKeyCHDBPWRDKDQQHR-UHFFFAOYSA-N
MW261.75 g/mol
LogP3.83
Rot. Bonds3

About 3-[(3-chlorophenyl)methyl]-5-methoxy-2-methylaniline

3-[(3-chlorophenyl)methyl]-5-methoxy-2-methylaniline (PubChem CID 154647621) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methyl]-5-methoxy-2-methylaniline.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methyl]-5-methoxy-2-methylaniline
PubChem CID154647621
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name3-[(3-chlorophenyl)methyl]-5-methoxy-2-methylaniline
SMILESCOc1cc(N)c(C)c(Cc2cccc(Cl)c2)c1
InChIInChI=1S/C15H16ClNO/c1-10-12(8-14(18-2)9-15(10)17)6-11-4-3-5-13(16)7-11/h3-5,7-9H,6,17H2,1-2H3
InChIKeyCHDBPWRDKDQQHR-UHFFFAOYSA-N
XLogP3.83
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-[(3-chlorophenyl)methyl]aniline
CID 21497394
5-chloro-3-[(3-fluorophenyl)methyl]-2-methylaniline
CID 157020701
1-chloro-3-[2-(4-methoxyphenyl)ethyl]benzene
CID 131860634
3-[(2-amino-4-methoxyphenyl)methyl]phenol
CID 105486633
1-chloro-3-[(4-methoxyphenoxy)methyl]benzene
CID 112788879
1-chloro-3-[4-(4-methoxyphenyl)butyl]benzene
CID 131860651
2-benzyl-5-methoxyaniline;ethane
CID 142463807
1-[2-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]-N-methylmethanamine
CID 60880600
4-[(3-chlorophenyl)methyl]-1-methylpyrazol-5-amine
CID 82024385
1-chloro-3-[2-[4-(4-methoxyphenyl)phenyl]ethyl]benzene
CID 173351843
4-chloro-1-[(3-chlorophenyl)methyl]-2-methylsulfonylbenzene
CID 174908025
5-chloro-2-[[(3-methoxyphenyl)methyl-methylamino]methyl]aniline
CID 62100733

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)methyl]-5-methoxy-2-methylaniline?
The IUPAC name of 3-[(3-chlorophenyl)methyl]-5-methoxy-2-methylaniline (CID 154647621) is 3-[(3-chlorophenyl)methyl]-5-methoxy-2-methylaniline.
What is the SMILES notation for 3-[(3-chlorophenyl)methyl]-5-methoxy-2-methylaniline?
The canonical SMILES for 3-[(3-chlorophenyl)methyl]-5-methoxy-2-methylaniline is COc1cc(N)c(C)c(Cc2cccc(Cl)c2)c1.
What is the InChIKey of 3-[(3-chlorophenyl)methyl]-5-methoxy-2-methylaniline?
The InChIKey is CHDBPWRDKDQQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-10-12(8-14(18-2)9-15(10)17)6-11-4-3-5-13(16)7-11/h3-5,7-9H,6,17H2,1-2H3.
What are the key properties of 3-[(3-chlorophenyl)methyl]-5-methoxy-2-methylaniline?
3-[(3-chlorophenyl)methyl]-5-methoxy-2-methylaniline has a molecular weight of 261.75 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methyl]-5-methoxy-2-methylaniline is sourced from PubChem (CID 154647621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).