4-chloro-3-[(dipropylamino)methyl]aniline

C13H21ClN2 — CID 43169077

IUPAC4-chloro-3-[(dipropylamino)methyl]aniline
SMILESCCCN(CCC)Cc1cc(N)ccc1Cl
InChIInChI=1S/C13H21ClN2/c1-3-7-16(8-4-2)10-11-9-12(15)5-6-13(11)14/h5-6,9H,3-4,7-8,10,15H2,1-2H3
InChIKeyQXLWSJZJRJEOFR-UHFFFAOYSA-N
MW240.78 g/mol
LogP3.54
Rot. Bonds6

About 4-chloro-3-[(dipropylamino)methyl]aniline

4-chloro-3-[(dipropylamino)methyl]aniline (PubChem CID 43169077) has the molecular formula C13H21ClN2 and a molecular weight of 240.78 g/mol. Its IUPAC name is 4-chloro-3-[(dipropylamino)methyl]aniline.

Molecular Properties

Compound Name4-chloro-3-[(dipropylamino)methyl]aniline
PubChem CID43169077
Molecular FormulaC13H21ClN2
Molecular Weight240.78 g/mol
Exact Mass240.14
IUPAC Name4-chloro-3-[(dipropylamino)methyl]aniline
SMILESCCCN(CCC)Cc1cc(N)ccc1Cl
InChIInChI=1S/C13H21ClN2/c1-3-7-16(8-4-2)10-11-9-12(15)5-6-13(11)14/h5-6,9H,3-4,7-8,10,15H2,1-2H3
InChIKeyQXLWSJZJRJEOFR-UHFFFAOYSA-N
XLogP3.54
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.78
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(dipropylamino)methyl]aniline?
The IUPAC name of 4-chloro-3-[(dipropylamino)methyl]aniline (CID 43169077) is 4-chloro-3-[(dipropylamino)methyl]aniline.
What is the SMILES notation for 4-chloro-3-[(dipropylamino)methyl]aniline?
The canonical SMILES for 4-chloro-3-[(dipropylamino)methyl]aniline is CCCN(CCC)Cc1cc(N)ccc1Cl.
What is the InChIKey of 4-chloro-3-[(dipropylamino)methyl]aniline?
The InChIKey is QXLWSJZJRJEOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2/c1-3-7-16(8-4-2)10-11-9-12(15)5-6-13(11)14/h5-6,9H,3-4,7-8,10,15H2,1-2H3.
What are the key properties of 4-chloro-3-[(dipropylamino)methyl]aniline?
4-chloro-3-[(dipropylamino)methyl]aniline has a molecular weight of 240.78 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(dipropylamino)methyl]aniline is sourced from PubChem (CID 43169077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).