3-chloro-N,N-dimethyl-4-[2-(methylamino)propyl]aniline

C12H19ClN2 — CID 10421259

IUPAC3-chloro-N,N-dimethyl-4-[2-(methylamino)propyl]aniline
SMILESCNC(C)Cc1ccc(N(C)C)cc1Cl
InChIInChI=1S/C12H19ClN2/c1-9(14-2)7-10-5-6-11(15(3)4)8-12(10)13/h5-6,8-9,14H,7H2,1-4H3
InChIKeyVLAALKUIXKASHK-UHFFFAOYSA-N
MW226.75 g/mol
LogP2.56
Rot. Bonds4

About 3-chloro-N,N-dimethyl-4-[2-(methylamino)propyl]aniline

3-chloro-N,N-dimethyl-4-[2-(methylamino)propyl]aniline (PubChem CID 10421259) has the molecular formula C12H19ClN2 and a molecular weight of 226.75 g/mol. Its IUPAC name is 3-chloro-N,N-dimethyl-4-[2-(methylamino)propyl]aniline.

Molecular Properties

Compound Name3-chloro-N,N-dimethyl-4-[2-(methylamino)propyl]aniline
PubChem CID10421259
Molecular FormulaC12H19ClN2
Molecular Weight226.75 g/mol
Exact Mass226.12
IUPAC Name3-chloro-N,N-dimethyl-4-[2-(methylamino)propyl]aniline
SMILESCNC(C)Cc1ccc(N(C)C)cc1Cl
InChIInChI=1S/C12H19ClN2/c1-9(14-2)7-10-5-6-11(15(3)4)8-12(10)13/h5-6,8-9,14H,7H2,1-4H3
InChIKeyVLAALKUIXKASHK-UHFFFAOYSA-N
XLogP2.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.75
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,N-dimethyl-4-[2-(methylamino)propyl]aniline?
The IUPAC name of 3-chloro-N,N-dimethyl-4-[2-(methylamino)propyl]aniline (CID 10421259) is 3-chloro-N,N-dimethyl-4-[2-(methylamino)propyl]aniline.
What is the SMILES notation for 3-chloro-N,N-dimethyl-4-[2-(methylamino)propyl]aniline?
The canonical SMILES for 3-chloro-N,N-dimethyl-4-[2-(methylamino)propyl]aniline is CNC(C)Cc1ccc(N(C)C)cc1Cl.
What is the InChIKey of 3-chloro-N,N-dimethyl-4-[2-(methylamino)propyl]aniline?
The InChIKey is VLAALKUIXKASHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2/c1-9(14-2)7-10-5-6-11(15(3)4)8-12(10)13/h5-6,8-9,14H,7H2,1-4H3.
What are the key properties of 3-chloro-N,N-dimethyl-4-[2-(methylamino)propyl]aniline?
3-chloro-N,N-dimethyl-4-[2-(methylamino)propyl]aniline has a molecular weight of 226.75 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,N-dimethyl-4-[2-(methylamino)propyl]aniline is sourced from PubChem (CID 10421259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).