4-(chloromethyl)-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)aniline

C15H24ClNO — CID 62123152

IUPAC4-(chloromethyl)-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)aniline
SMILESCOCCN(CC(C)C)c1ccc(CCl)cc1C
InChIInChI=1S/C15H24ClNO/c1-12(2)11-17(7-8-18-4)15-6-5-14(10-16)9-13(15)3/h5-6,9,12H,7-8,10-11H2,1-4H3
InChIKeyBQPLZPJQZQCFIM-UHFFFAOYSA-N
MW269.82 g/mol
LogP3.84
Rot. Bonds7

About 4-(chloromethyl)-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)aniline

4-(chloromethyl)-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)aniline (PubChem CID 62123152) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 4-(chloromethyl)-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)aniline.

Molecular Properties

Compound Name4-(chloromethyl)-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)aniline
PubChem CID62123152
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name4-(chloromethyl)-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)aniline
SMILESCOCCN(CC(C)C)c1ccc(CCl)cc1C
InChIInChI=1S/C15H24ClNO/c1-12(2)11-17(7-8-18-4)15-6-5-14(10-16)9-13(15)3/h5-6,9,12H,7-8,10-11H2,1-4H3
InChIKeyBQPLZPJQZQCFIM-UHFFFAOYSA-N
XLogP3.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 53.84
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)-2-methyl-N,N-bis(2-methylpropyl)aniline
CID 63539624
4-(chloromethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-methylaniline
CID 62123154
5-(chloromethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)pyridin-2-amine
CID 54987100
4-(chloromethyl)-N-ethyl-2-fluoro-N-(2-methoxyethyl)aniline
CID 61446258
3-chloro-4-[2-methoxyethyl(2-methylpropyl)amino]benzoic acid
CID 63088651
2-(aminomethyl)-N-(2-methoxyethyl)-5-methyl-N-(2-methylpropyl)aniline
CID 62308997
5-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)-2-[(propan-2-ylamino)methyl]aniline
CID 114849511
4-N-(2-methoxyethyl)-2-methyl-4-N-(2-methylpropyl)benzene-1,4-diamine
CID 54987138
1-[3-bromo-4-[2-methoxyethyl(2-methylpropyl)amino]phenyl]ethanol
CID 62908872
2,3-difluoro-4-[2-methoxyethyl(2-methylpropyl)amino]benzonitrile
CID 107933567
4-(chloromethyl)-2-fluoro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)aniline
CID 55005281
2-[2-methoxyethyl(2-methylpropyl)amino]-4-methylbenzoic acid
CID 62701501

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)aniline?
The IUPAC name of 4-(chloromethyl)-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)aniline (CID 62123152) is 4-(chloromethyl)-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)aniline.
What is the SMILES notation for 4-(chloromethyl)-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)aniline?
The canonical SMILES for 4-(chloromethyl)-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)aniline is COCCN(CC(C)C)c1ccc(CCl)cc1C.
What is the InChIKey of 4-(chloromethyl)-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)aniline?
The InChIKey is BQPLZPJQZQCFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-12(2)11-17(7-8-18-4)15-6-5-14(10-16)9-13(15)3/h5-6,9,12H,7-8,10-11H2,1-4H3.
What are the key properties of 4-(chloromethyl)-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)aniline?
4-(chloromethyl)-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)aniline has a molecular weight of 269.82 g/mol, XLogP of 3.84, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)aniline is sourced from PubChem (CID 62123152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).