4-(chloromethyl)-N-(3-methoxyphenyl)-N,2-dimethylaniline

C16H18ClNO — CID 55222140

IUPAC4-(chloromethyl)-N-(3-methoxyphenyl)-N,2-dimethylaniline
SMILESCOc1cccc(N(C)c2ccc(CCl)cc2C)c1
InChIInChI=1S/C16H18ClNO/c1-12-9-13(11-17)7-8-16(12)18(2)14-5-4-6-15(10-14)19-3/h4-10H,11H2,1-3H3
InChIKeyOYNLVNDTCRJPAG-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.51
Rot. Bonds4

About 4-(chloromethyl)-N-(3-methoxyphenyl)-N,2-dimethylaniline

4-(chloromethyl)-N-(3-methoxyphenyl)-N,2-dimethylaniline (PubChem CID 55222140) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 4-(chloromethyl)-N-(3-methoxyphenyl)-N,2-dimethylaniline.

Molecular Properties

Compound Name4-(chloromethyl)-N-(3-methoxyphenyl)-N,2-dimethylaniline
PubChem CID55222140
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name4-(chloromethyl)-N-(3-methoxyphenyl)-N,2-dimethylaniline
SMILESCOc1cccc(N(C)c2ccc(CCl)cc2C)c1
InChIInChI=1S/C16H18ClNO/c1-12-9-13(11-17)7-8-16(12)18(2)14-5-4-6-15(10-14)19-3/h4-10H,11H2,1-3H3
InChIKeyOYNLVNDTCRJPAG-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-(4-methoxyphenyl)-N,2-dimethylaniline
CID 55222249
4-(chloromethyl)-N,2-dimethyl-N-phenylaniline
CID 55221919
[3-chloro-4-(3-methoxy-N-methylanilino)phenyl]methanol
CID 81151607
3-chloro-2-(chloromethyl)-N-(3-methoxyphenyl)-N-methylaniline
CID 63567290
4-(aminomethyl)-2-fluoro-N-(3-methoxyphenyl)-N-methylaniline
CID 55207807
2-chloro-4-(ethylaminomethyl)-N-(3-methoxyphenyl)-N-methylaniline
CID 81143432
N-(3-methoxyphenyl)-N,3-dimethylaniline
CID 57317971
4-(chloromethyl)-N-(3-methoxyphenyl)-N,6-dimethylpyrimidin-2-amine
CID 114220031
4-(chloromethyl)-N-ethyl-N,2-dimethylaniline
CID 62123149
1-(chloromethyl)-3-(3-methoxyphenoxy)benzene
CID 19421777
4-(aminomethyl)-N,2-dimethyl-N-phenylaniline
CID 60930151
5-[(3-methoxy-N-methylanilino)methyl]-2-methylaniline
CID 62004359

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-(3-methoxyphenyl)-N,2-dimethylaniline?
The IUPAC name of 4-(chloromethyl)-N-(3-methoxyphenyl)-N,2-dimethylaniline (CID 55222140) is 4-(chloromethyl)-N-(3-methoxyphenyl)-N,2-dimethylaniline.
What is the SMILES notation for 4-(chloromethyl)-N-(3-methoxyphenyl)-N,2-dimethylaniline?
The canonical SMILES for 4-(chloromethyl)-N-(3-methoxyphenyl)-N,2-dimethylaniline is COc1cccc(N(C)c2ccc(CCl)cc2C)c1.
What is the InChIKey of 4-(chloromethyl)-N-(3-methoxyphenyl)-N,2-dimethylaniline?
The InChIKey is OYNLVNDTCRJPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-12-9-13(11-17)7-8-16(12)18(2)14-5-4-6-15(10-14)19-3/h4-10H,11H2,1-3H3.
What are the key properties of 4-(chloromethyl)-N-(3-methoxyphenyl)-N,2-dimethylaniline?
4-(chloromethyl)-N-(3-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-(3-methoxyphenyl)-N,2-dimethylaniline is sourced from PubChem (CID 55222140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).