N-benzyl-N-propylaniline

C16H19N — CID 14671265

IUPACN-benzyl-N-propylaniline
SMILESCCCN(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C16H19N/c1-2-13-17(16-11-7-4-8-12-16)14-15-9-5-3-6-10-15/h3-12H,2,13-14H2,1H3
InChIKeyWJZNJZWXOFGUFC-UHFFFAOYSA-N
MW225.34 g/mol
LogP4.10
Rot. Bonds5

About N-benzyl-N-propylaniline

N-benzyl-N-propylaniline (PubChem CID 14671265) has the molecular formula C16H19N and a molecular weight of 225.34 g/mol. Its IUPAC name is N-benzyl-N-propylaniline.

Molecular Properties

Compound NameN-benzyl-N-propylaniline
PubChem CID14671265
Molecular FormulaC16H19N
Molecular Weight225.34 g/mol
Exact Mass225.15
IUPAC NameN-benzyl-N-propylaniline
SMILESCCCN(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C16H19N/c1-2-13-17(16-11-7-4-8-12-16)14-15-9-5-3-6-10-15/h3-12H,2,13-14H2,1H3
InChIKeyWJZNJZWXOFGUFC-UHFFFAOYSA-N
XLogP4.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-dipropylaniline;ethane
CID 142135231
N,N-dibenzylaniline
CID 139071697
N-benzyl-N-(2-ethoxyethyl)aniline
CID 57253291
2-(N-benzylanilino)ethyl-trimethylazanium iodide
CID 14450569
4-N-benzyl-2-methyl-4-N-propylbenzene-1,4-diamine
CID 43587676
2-(N-benzylanilino)ethyl-diethyl-methylazanium iodide
CID 18528258
N-[[4-(aminomethyl)phenyl]methyl]-N-butylaniline
CID 64584404
N,N-dibenzylpropan-1-amine
CID 10840212
N-benzyl-N-(5-phenylpentyl)aniline
CID 18790289
3-(N-benzylanilino)-N,N-diethylpropanamide
CID 109030661
N-[[3-(aminomethyl)phenyl]methyl]-N-butylaniline
CID 64584405
3-(N-propylanilino)propan-1-ol
CID 101291000

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-propylaniline?
The IUPAC name of N-benzyl-N-propylaniline (CID 14671265) is N-benzyl-N-propylaniline.
What is the SMILES notation for N-benzyl-N-propylaniline?
The canonical SMILES for N-benzyl-N-propylaniline is CCCN(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-benzyl-N-propylaniline?
The InChIKey is WJZNJZWXOFGUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N/c1-2-13-17(16-11-7-4-8-12-16)14-15-9-5-3-6-10-15/h3-12H,2,13-14H2,1H3.
What are the key properties of N-benzyl-N-propylaniline?
N-benzyl-N-propylaniline has a molecular weight of 225.34 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-propylaniline is sourced from PubChem (CID 14671265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).