3-chloro-N-[(2-methoxy-5-methylphenyl)methyl]aniline

C15H16ClNO — CID 43408545

IUPAC3-chloro-N-[(2-methoxy-5-methylphenyl)methyl]aniline
SMILESCOc1ccc(C)cc1CNc1cccc(Cl)c1
InChIInChI=1S/C15H16ClNO/c1-11-6-7-15(18-2)12(8-11)10-17-14-5-3-4-13(16)9-14/h3-9,17H,10H2,1-2H3
InChIKeyDUORKYHHUCYQJA-UHFFFAOYSA-N
MW261.75 g/mol
LogP4.27
Rot. Bonds4

About 3-chloro-N-[(2-methoxy-5-methylphenyl)methyl]aniline

3-chloro-N-[(2-methoxy-5-methylphenyl)methyl]aniline (PubChem CID 43408545) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 3-chloro-N-[(2-methoxy-5-methylphenyl)methyl]aniline.

Molecular Properties

Compound Name3-chloro-N-[(2-methoxy-5-methylphenyl)methyl]aniline
PubChem CID43408545
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name3-chloro-N-[(2-methoxy-5-methylphenyl)methyl]aniline
SMILESCOc1ccc(C)cc1CNc1cccc(Cl)c1
InChIInChI=1S/C15H16ClNO/c1-11-6-7-15(18-2)12(8-11)10-17-14-5-3-4-13(16)9-14/h3-9,17H,10H2,1-2H3
InChIKeyDUORKYHHUCYQJA-UHFFFAOYSA-N
XLogP4.27
TPSA21.26 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 ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]aniline
CID 43410779
N-[(5-bromo-2-methoxyphenyl)methyl]-3-chloroaniline
CID 43087958
3-(methoxymethyl)-N-[(2-methoxy-5-methylphenyl)methyl]aniline
CID 43672260
3-[(2-methoxy-5-methylphenyl)methylamino]benzonitrile
CID 43408626
2-chloro-4-[(2-methoxy-5-methylphenyl)methylamino]phenol
CID 107677911
2-(3-chloroanilino)-1-(2-methoxy-5-methylphenyl)ethanol
CID 60897559
2-chloro-5-[(2-methoxy-5-methylphenyl)methylamino]benzoic acid
CID 43736330
4-fluoro-N-[(2-methoxy-5-methylphenyl)methyl]aniline
CID 43408473
N-[(5-chloro-2-methoxyphenyl)methyl]-2-fluoro-5-methylaniline
CID 43410852
2-bromo-3-chloro-N-[(2-methoxy-5-methylphenyl)methyl]aniline
CID 103478108
N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-3-methylaniline
CID 126124166
N-[(5-chloro-2-methoxyphenyl)methyl]-3,4-difluoroaniline
CID 43410818

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2-methoxy-5-methylphenyl)methyl]aniline?
The IUPAC name of 3-chloro-N-[(2-methoxy-5-methylphenyl)methyl]aniline (CID 43408545) is 3-chloro-N-[(2-methoxy-5-methylphenyl)methyl]aniline.
What is the SMILES notation for 3-chloro-N-[(2-methoxy-5-methylphenyl)methyl]aniline?
The canonical SMILES for 3-chloro-N-[(2-methoxy-5-methylphenyl)methyl]aniline is COc1ccc(C)cc1CNc1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[(2-methoxy-5-methylphenyl)methyl]aniline?
The InChIKey is DUORKYHHUCYQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-11-6-7-15(18-2)12(8-11)10-17-14-5-3-4-13(16)9-14/h3-9,17H,10H2,1-2H3.
What are the key properties of 3-chloro-N-[(2-methoxy-5-methylphenyl)methyl]aniline?
3-chloro-N-[(2-methoxy-5-methylphenyl)methyl]aniline has a molecular weight of 261.75 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2-methoxy-5-methylphenyl)methyl]aniline is sourced from PubChem (CID 43408545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).