4-(chloromethyl)-N-(4-methoxyphenyl)-N,2-dimethylaniline

C16H18ClNO — CID 55222249

IUPAC4-(chloromethyl)-N-(4-methoxyphenyl)-N,2-dimethylaniline
SMILESCOc1ccc(N(C)c2ccc(CCl)cc2C)cc1
InChIInChI=1S/C16H18ClNO/c1-12-10-13(11-17)4-9-16(12)18(2)14-5-7-15(19-3)8-6-14/h4-10H,11H2,1-3H3
InChIKeyGODGWDDKFPDLBM-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.51
Rot. Bonds4

About 4-(chloromethyl)-N-(4-methoxyphenyl)-N,2-dimethylaniline

4-(chloromethyl)-N-(4-methoxyphenyl)-N,2-dimethylaniline (PubChem CID 55222249) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 4-(chloromethyl)-N-(4-methoxyphenyl)-N,2-dimethylaniline.

Molecular Properties

Compound Name4-(chloromethyl)-N-(4-methoxyphenyl)-N,2-dimethylaniline
PubChem CID55222249
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name4-(chloromethyl)-N-(4-methoxyphenyl)-N,2-dimethylaniline
SMILESCOc1ccc(N(C)c2ccc(CCl)cc2C)cc1
InChIInChI=1S/C16H18ClNO/c1-12-10-13(11-17)4-9-16(12)18(2)14-5-7-15(19-3)8-6-14/h4-10H,11H2,1-3H3
InChIKeyGODGWDDKFPDLBM-UHFFFAOYSA-N
XLogP4.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(chloromethyl)-N-(3-methoxyphenyl)-N,2-dimethylaniline
CID 55222140
4-(chloromethyl)-N,2-dimethyl-N-phenylaniline
CID 55221919
4-(chloromethyl)-2,6-difluoro-N-(4-methoxyphenyl)-N-methylaniline
CID 63567819
4-(chloromethyl)-N-ethyl-N,2-dimethylaniline
CID 62123149
4-(aminomethyl)-N-(4-ethylphenyl)-N,2-dimethylaniline
CID 55209345
2-chloro-4-(ethylaminomethyl)-N-(4-methoxyphenyl)-N-methylaniline
CID 81143433
[4-(4-fluoro-N-methylanilino)-3-methylphenyl]methanol
CID 62120345
4-(chloromethyl)-N-cyclohexyl-N,2-dimethylaniline
CID 55222027
4-bromo-N-[(4-methoxyphenyl)methyl]-N,2-dimethylaniline
CID 22042659
4-methoxy-N-(4-methoxyphenyl)-N-methylaniline;hydrochloride
CID 175476332
N-[4-(chloromethyl)phenyl]-N,4-dimethylaniline
CID 55220939
4-(chloromethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-methylaniline
CID 62123154

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-(4-methoxyphenyl)-N,2-dimethylaniline?
The IUPAC name of 4-(chloromethyl)-N-(4-methoxyphenyl)-N,2-dimethylaniline (CID 55222249) is 4-(chloromethyl)-N-(4-methoxyphenyl)-N,2-dimethylaniline.
What is the SMILES notation for 4-(chloromethyl)-N-(4-methoxyphenyl)-N,2-dimethylaniline?
The canonical SMILES for 4-(chloromethyl)-N-(4-methoxyphenyl)-N,2-dimethylaniline is COc1ccc(N(C)c2ccc(CCl)cc2C)cc1.
What is the InChIKey of 4-(chloromethyl)-N-(4-methoxyphenyl)-N,2-dimethylaniline?
The InChIKey is GODGWDDKFPDLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-12-10-13(11-17)4-9-16(12)18(2)14-5-7-15(19-3)8-6-14/h4-10H,11H2,1-3H3.
What are the key properties of 4-(chloromethyl)-N-(4-methoxyphenyl)-N,2-dimethylaniline?
4-(chloromethyl)-N-(4-methoxyphenyl)-N,2-dimethylaniline has a molecular weight of 275.78 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-(4-methoxyphenyl)-N,2-dimethylaniline is sourced from PubChem (CID 55222249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).