2-chloro-4-(chloromethyl)-N-methyl-N-(2-pyridin-4-ylethyl)aniline

C15H16Cl2N2 — CID 81151057

IUPAC2-chloro-4-(chloromethyl)-N-methyl-N-(2-pyridin-4-ylethyl)aniline
SMILESCN(CCc1ccncc1)c1ccc(CCl)cc1Cl
InChIInChI=1S/C15H16Cl2N2/c1-19(9-6-12-4-7-18-8-5-12)15-3-2-13(11-16)10-14(15)17/h2-5,7-8,10H,6,9,11H2,1H3
InChIKeyBAYXOCQMTPIHNT-UHFFFAOYSA-N
MW295.21 g/mol
LogP4.15
Rot. Bonds5

About 2-chloro-4-(chloromethyl)-N-methyl-N-(2-pyridin-4-ylethyl)aniline

2-chloro-4-(chloromethyl)-N-methyl-N-(2-pyridin-4-ylethyl)aniline (PubChem CID 81151057) has the molecular formula C15H16Cl2N2 and a molecular weight of 295.21 g/mol. Its IUPAC name is 2-chloro-4-(chloromethyl)-N-methyl-N-(2-pyridin-4-ylethyl)aniline.

Molecular Properties

Compound Name2-chloro-4-(chloromethyl)-N-methyl-N-(2-pyridin-4-ylethyl)aniline
PubChem CID81151057
Molecular FormulaC15H16Cl2N2
Molecular Weight295.21 g/mol
Exact Mass294.07
IUPAC Name2-chloro-4-(chloromethyl)-N-methyl-N-(2-pyridin-4-ylethyl)aniline
SMILESCN(CCc1ccncc1)c1ccc(CCl)cc1Cl
InChIInChI=1S/C15H16Cl2N2/c1-19(9-6-12-4-7-18-8-5-12)15-3-2-13(11-16)10-14(15)17/h2-5,7-8,10H,6,9,11H2,1H3
InChIKeyBAYXOCQMTPIHNT-UHFFFAOYSA-N
XLogP4.15
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.21
LogP ≤ 54.15
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

2-chloro-N-methyl-4-(methylaminomethyl)-N-(2-pyridin-4-ylethyl)aniline
CID 81148547
4-(chloromethyl)-2-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 54944105
2-chloro-4-(chloromethyl)-N-methyl-N-(3-methylbutyl)aniline
CID 81151535
5-chloro-6-(chloromethyl)-N-methyl-N-(2-pyridin-4-ylethyl)pyridin-2-amine
CID 61257415
2,3-dichloro-N-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 110454690
5-(chloromethyl)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazin-2-amine
CID 107373359
5-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarbothioamide
CID 62492674
2-(bromomethyl)-5-chloro-N-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 107080718
4-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzaldehyde
CID 114844001
3-chloro-N-methyl-2-(methylaminomethyl)-N-(2-pyridin-4-ylethyl)aniline
CID 60912716
4-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzoic acid
CID 63083019
[5-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]-4-pyridinyl]methanol
CID 114920252

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(chloromethyl)-N-methyl-N-(2-pyridin-4-ylethyl)aniline?
The IUPAC name of 2-chloro-4-(chloromethyl)-N-methyl-N-(2-pyridin-4-ylethyl)aniline (CID 81151057) is 2-chloro-4-(chloromethyl)-N-methyl-N-(2-pyridin-4-ylethyl)aniline.
What is the SMILES notation for 2-chloro-4-(chloromethyl)-N-methyl-N-(2-pyridin-4-ylethyl)aniline?
The canonical SMILES for 2-chloro-4-(chloromethyl)-N-methyl-N-(2-pyridin-4-ylethyl)aniline is CN(CCc1ccncc1)c1ccc(CCl)cc1Cl.
What is the InChIKey of 2-chloro-4-(chloromethyl)-N-methyl-N-(2-pyridin-4-ylethyl)aniline?
The InChIKey is BAYXOCQMTPIHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2/c1-19(9-6-12-4-7-18-8-5-12)15-3-2-13(11-16)10-14(15)17/h2-5,7-8,10H,6,9,11H2,1H3.
What are the key properties of 2-chloro-4-(chloromethyl)-N-methyl-N-(2-pyridin-4-ylethyl)aniline?
2-chloro-4-(chloromethyl)-N-methyl-N-(2-pyridin-4-ylethyl)aniline has a molecular weight of 295.21 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(chloromethyl)-N-methyl-N-(2-pyridin-4-ylethyl)aniline is sourced from PubChem (CID 81151057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).