4-(chloromethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-methylaniline

C15H24ClNO2 — CID 62123154

IUPAC4-(chloromethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-methylaniline
SMILESCOCCCN(CCOC)c1ccc(CCl)cc1C
InChIInChI=1S/C15H24ClNO2/c1-13-11-14(12-16)5-6-15(13)17(8-10-19-3)7-4-9-18-2/h5-6,11H,4,7-10,12H2,1-3H3
InChIKeyCZXRNDPZTBUUDV-UHFFFAOYSA-N
MW285.81 g/mol
LogP3.22
Rot. Bonds9

About 4-(chloromethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-methylaniline

4-(chloromethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-methylaniline (PubChem CID 62123154) has the molecular formula C15H24ClNO2 and a molecular weight of 285.81 g/mol. Its IUPAC name is 4-(chloromethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-methylaniline.

Molecular Properties

Compound Name4-(chloromethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-methylaniline
PubChem CID62123154
Molecular FormulaC15H24ClNO2
Molecular Weight285.81 g/mol
Exact Mass285.15
IUPAC Name4-(chloromethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-methylaniline
SMILESCOCCCN(CCOC)c1ccc(CCl)cc1C
InChIInChI=1S/C15H24ClNO2/c1-13-11-14(12-16)5-6-15(13)17(8-10-19-3)7-4-9-18-2/h5-6,11H,4,7-10,12H2,1-3H3
InChIKeyCZXRNDPZTBUUDV-UHFFFAOYSA-N
XLogP3.22
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.81
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(chloromethyl)-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)aniline
CID 62123152
4-(chloromethyl)-2-fluoro-N-(3-methoxypropyl)-N-methylaniline
CID 63009826
4-(chloromethyl)-N-ethyl-2-fluoro-N-(2-methoxyethyl)aniline
CID 61446258
4-(chloromethyl)-2-methyl-N,N-bis(2-methylpropyl)aniline
CID 63539624
4-[bis(2-methoxyethyl)amino]-3-methylbenzonitrile
CID 61418646
1-[3-chloro-4-[2-methoxyethyl(3-methoxypropyl)amino]phenyl]ethanol
CID 62910072
4-(chloromethyl)-N-ethyl-N,2-dimethylaniline
CID 62123149
4-(chloromethyl)-N,2-dimethyl-N-phenylaniline
CID 55221919
4-(chloromethyl)-N-(3-methoxyphenyl)-N,2-dimethylaniline
CID 55222140
4-(chloromethyl)-N-(4-methoxyphenyl)-N,2-dimethylaniline
CID 55222249
2-chloro-6-[2-methoxyethyl(3-methoxypropyl)amino]benzaldehyde
CID 54989930
2-(difluoromethyl)-1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,4-diamine
CID 63734268

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-methylaniline?
The IUPAC name of 4-(chloromethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-methylaniline (CID 62123154) is 4-(chloromethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-methylaniline.
What is the SMILES notation for 4-(chloromethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-methylaniline?
The canonical SMILES for 4-(chloromethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-methylaniline is COCCCN(CCOC)c1ccc(CCl)cc1C.
What is the InChIKey of 4-(chloromethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-methylaniline?
The InChIKey is CZXRNDPZTBUUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO2/c1-13-11-14(12-16)5-6-15(13)17(8-10-19-3)7-4-9-18-2/h5-6,11H,4,7-10,12H2,1-3H3.
What are the key properties of 4-(chloromethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-methylaniline?
4-(chloromethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-methylaniline has a molecular weight of 285.81 g/mol, XLogP of 3.22, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-methylaniline is sourced from PubChem (CID 62123154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).