2-chloro-4-methyl-N,N-dipropylaniline

C13H20ClN — CID 142078199

IUPAC2-chloro-4-methyl-N,N-dipropylaniline
SMILESCCCN(CCC)c1ccc(C)cc1Cl
InChIInChI=1S/C13H20ClN/c1-4-8-15(9-5-2)13-7-6-11(3)10-12(13)14/h6-7,10H,4-5,8-9H2,1-3H3
InChIKeyYSGRCZJIEWNMHT-UHFFFAOYSA-N
MW225.76 g/mol
LogP4.27
Rot. Bonds5

About 2-chloro-4-methyl-N,N-dipropylaniline

2-chloro-4-methyl-N,N-dipropylaniline (PubChem CID 142078199) has the molecular formula C13H20ClN and a molecular weight of 225.76 g/mol. Its IUPAC name is 2-chloro-4-methyl-N,N-dipropylaniline.

Molecular Properties

Compound Name2-chloro-4-methyl-N,N-dipropylaniline
PubChem CID142078199
Molecular FormulaC13H20ClN
Molecular Weight225.76 g/mol
Exact Mass225.13
IUPAC Name2-chloro-4-methyl-N,N-dipropylaniline
SMILESCCCN(CCC)c1ccc(C)cc1Cl
InChIInChI=1S/C13H20ClN/c1-4-8-15(9-5-2)13-7-6-11(3)10-12(13)14/h6-7,10H,4-5,8-9H2,1-3H3
InChIKeyYSGRCZJIEWNMHT-UHFFFAOYSA-N
XLogP4.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.76
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-dimethyl-N,N-dipropylaniline
CID 13113808
methane;4-methyl-1-N,1-N-dipropylbenzene-1,2-diamine
CID 144540155
2-(dipropylamino)-5-methylbenzonitrile
CID 107926828
2-chloro-N,N,4-trimethylaniline
CID 4099980
N'-(2-chloro-4-methylphenyl)-N-ethyl-N,N'-dimethylethane-1,2-diamine
CID 142350890
1-chloro-4-methylbenzene;4-methyl-N,N-dipropylaniline
CID 142864428
(1S)-1-[3-chloro-4-[2-hydroxyethyl(propyl)amino]phenyl]ethanol
CID 55184297
3-chloro-4-[2-(dimethylamino)ethyl-propylamino]benzonitrile
CID 63087550
3-chloro-4-[2-(dimethylamino)ethyl-propylamino]benzoic acid
CID 63088812
(1R)-1-[3-chloro-4-[2-(dimethylamino)ethyl-propylamino]phenyl]ethanol
CID 78940818
4-(2-aminoethyl)-2-chloro-N-ethyl-N-propylaniline
CID 81166516
2-chloro-4-methyl-N,N-bis(trideuteriomethyl)aniline
CID 155292063

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N,N-dipropylaniline?
The IUPAC name of 2-chloro-4-methyl-N,N-dipropylaniline (CID 142078199) is 2-chloro-4-methyl-N,N-dipropylaniline.
What is the SMILES notation for 2-chloro-4-methyl-N,N-dipropylaniline?
The canonical SMILES for 2-chloro-4-methyl-N,N-dipropylaniline is CCCN(CCC)c1ccc(C)cc1Cl.
What is the InChIKey of 2-chloro-4-methyl-N,N-dipropylaniline?
The InChIKey is YSGRCZJIEWNMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN/c1-4-8-15(9-5-2)13-7-6-11(3)10-12(13)14/h6-7,10H,4-5,8-9H2,1-3H3.
What are the key properties of 2-chloro-4-methyl-N,N-dipropylaniline?
2-chloro-4-methyl-N,N-dipropylaniline has a molecular weight of 225.76 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-N,N-dipropylaniline is sourced from PubChem (CID 142078199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).