N,2-dimethyl-N-propylaniline

C11H17N — CID 69435269

IUPACN,2-dimethyl-N-propylaniline
SMILESCCCN(C)c1ccccc1C
InChIInChI=1S/C11H17N/c1-4-9-12(3)11-8-6-5-7-10(11)2/h5-8H,4,9H2,1-3H3
InChIKeyWIRLFHQNRVRGEP-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.84
Rot. Bonds3

About N,2-dimethyl-N-propylaniline

N,2-dimethyl-N-propylaniline (PubChem CID 69435269) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is N,2-dimethyl-N-propylaniline.

Molecular Properties

Compound NameN,2-dimethyl-N-propylaniline
PubChem CID69435269
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC NameN,2-dimethyl-N-propylaniline
SMILESCCCN(C)c1ccccc1C
InChIInChI=1S/C11H17N/c1-4-9-12(3)11-8-6-5-7-10(11)2/h5-8H,4,9H2,1-3H3
InChIKeyWIRLFHQNRVRGEP-UHFFFAOYSA-N
XLogP2.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-N-butyl-1-N,2-N-dimethyl-1-N-propylbenzene-1,2-diamine
CID 142020233
N'-methyl-N'-(2-methylphenyl)-N-pentylethane-1,2-diamine
CID 62554618
2-fluoro-N-methyl-N-propylaniline
CID 67818828
6-(N,2-dimethylanilino)hexan-3-one
CID 106801284
N'-[3-(N,2-dimethylanilino)propyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 69433807
N-ethyl-N'-methyl-N'-(2-methylphenyl)pentane-1,5-diamine
CID 55072175
2-methoxy-N-methyl-N-propylaniline
CID 23198488
N'-methyl-N,N'-bis(2-methylphenyl)ethane-1,2-diamine
CID 62555257
2-(2-methyl-N-propylanilino)acetic acid
CID 83559835
2-(2-methyl-N-propylanilino)phenol
CID 12677144
3-chloro-N,2-dimethyl-N-propylaniline
CID 123602210
N-tert-butyl-N'-methyl-N'-(2-methylphenyl)propane-1,3-diamine
CID 55069200

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-propylaniline?
The IUPAC name of N,2-dimethyl-N-propylaniline (CID 69435269) is N,2-dimethyl-N-propylaniline.
What is the SMILES notation for N,2-dimethyl-N-propylaniline?
The canonical SMILES for N,2-dimethyl-N-propylaniline is CCCN(C)c1ccccc1C.
What is the InChIKey of N,2-dimethyl-N-propylaniline?
The InChIKey is WIRLFHQNRVRGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-4-9-12(3)11-8-6-5-7-10(11)2/h5-8H,4,9H2,1-3H3.
What are the key properties of N,2-dimethyl-N-propylaniline?
N,2-dimethyl-N-propylaniline has a molecular weight of 163.26 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-propylaniline is sourced from PubChem (CID 69435269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).