2-chloro-N-methyl-4-(methylaminomethyl)-N-propylaniline

C12H19ClN2 — CID 81149144

IUPAC2-chloro-N-methyl-4-(methylaminomethyl)-N-propylaniline
SMILESCCCN(C)c1ccc(CNC)cc1Cl
InChIInChI=1S/C12H19ClN2/c1-4-7-15(3)12-6-5-10(9-14-2)8-11(12)13/h5-6,8,14H,4,7,9H2,1-3H3
InChIKeyJUCCFKNATQXCCN-UHFFFAOYSA-N
MW226.75 g/mol
LogP2.91
Rot. Bonds5

About 2-chloro-N-methyl-4-(methylaminomethyl)-N-propylaniline

2-chloro-N-methyl-4-(methylaminomethyl)-N-propylaniline (PubChem CID 81149144) has the molecular formula C12H19ClN2 and a molecular weight of 226.75 g/mol. Its IUPAC name is 2-chloro-N-methyl-4-(methylaminomethyl)-N-propylaniline.

Molecular Properties

Compound Name2-chloro-N-methyl-4-(methylaminomethyl)-N-propylaniline
PubChem CID81149144
Molecular FormulaC12H19ClN2
Molecular Weight226.75 g/mol
Exact Mass226.12
IUPAC Name2-chloro-N-methyl-4-(methylaminomethyl)-N-propylaniline
SMILESCCCN(C)c1ccc(CNC)cc1Cl
InChIInChI=1S/C12H19ClN2/c1-4-7-15(3)12-6-5-10(9-14-2)8-11(12)13/h5-6,8,14H,4,7,9H2,1-3H3
InChIKeyJUCCFKNATQXCCN-UHFFFAOYSA-N
XLogP2.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.75
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-(methylaminomethyl)-N-propan-2-yl-N-propylaniline
CID 81149224
2-chloro-N-methyl-4-(methylaminomethyl)-N-(2-pyridin-4-ylethyl)aniline
CID 81148547
2-chloro-N-methyl-4-(methylaminomethyl)-N-[(4-methylphenyl)methyl]aniline
CID 81149069
N-butyl-2-chloro-4-(ethylaminomethyl)-N-methylaniline
CID 81149132
N-butan-2-yl-2-chloro-N-methyl-4-(methylaminomethyl)aniline
CID 81148692
N-butyl-4-[(tert-butylamino)methyl]-2-chloro-N-methylaniline
CID 81149131
2-chloro-N-[(3-fluorophenyl)methyl]-N-methyl-4-(methylaminomethyl)aniline
CID 81149545
2-chloro-4-(methylaminomethyl)-N-pentyl-N-propan-2-ylaniline
CID 81149585
2-chloro-N-methyl-4-(methylaminomethyl)-N-(thiophen-3-ylmethyl)aniline
CID 81148615
3-[[2-chloro-N-methyl-4-(methylaminomethyl)anilino]methyl]cyclobutan-1-ol
CID 81150733
N-methyl-4-(methylaminomethyl)-N-propylaniline
CID 43281892
3-[2-chloro-N-methyl-4-(propylaminomethyl)anilino]-N-methylpropanamide
CID 106916783

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-4-(methylaminomethyl)-N-propylaniline?
The IUPAC name of 2-chloro-N-methyl-4-(methylaminomethyl)-N-propylaniline (CID 81149144) is 2-chloro-N-methyl-4-(methylaminomethyl)-N-propylaniline.
What is the SMILES notation for 2-chloro-N-methyl-4-(methylaminomethyl)-N-propylaniline?
The canonical SMILES for 2-chloro-N-methyl-4-(methylaminomethyl)-N-propylaniline is CCCN(C)c1ccc(CNC)cc1Cl.
What is the InChIKey of 2-chloro-N-methyl-4-(methylaminomethyl)-N-propylaniline?
The InChIKey is JUCCFKNATQXCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2/c1-4-7-15(3)12-6-5-10(9-14-2)8-11(12)13/h5-6,8,14H,4,7,9H2,1-3H3.
What are the key properties of 2-chloro-N-methyl-4-(methylaminomethyl)-N-propylaniline?
2-chloro-N-methyl-4-(methylaminomethyl)-N-propylaniline has a molecular weight of 226.75 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-4-(methylaminomethyl)-N-propylaniline is sourced from PubChem (CID 81149144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).