3-methyl-N-propylaniline

C10H15N — CID 4196607

IUPAC3-methyl-N-propylaniline
SMILESCCCNc1cccc(C)c1
InChIInChI=1S/C10H15N/c1-3-7-11-10-6-4-5-9(2)8-10/h4-6,8,11H,3,7H2,1-2H3
InChIKeyIUNVPXVTJRNCEK-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.82
Rot. Bonds3

About 3-methyl-N-propylaniline

3-methyl-N-propylaniline (PubChem CID 4196607) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 3-methyl-N-propylaniline.

Molecular Properties

Compound Name3-methyl-N-propylaniline
PubChem CID4196607
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name3-methyl-N-propylaniline
SMILESCCCNc1cccc(C)c1
InChIInChI=1S/C10H15N/c1-3-7-11-10-6-4-5-9(2)8-10/h4-6,8,11H,3,7H2,1-2H3
InChIKeyIUNVPXVTJRNCEK-UHFFFAOYSA-N
XLogP2.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propylaniline?
The IUPAC name of 3-methyl-N-propylaniline (CID 4196607) is 3-methyl-N-propylaniline.
What is the SMILES notation for 3-methyl-N-propylaniline?
The canonical SMILES for 3-methyl-N-propylaniline is CCCNc1cccc(C)c1.
What is the InChIKey of 3-methyl-N-propylaniline?
The InChIKey is IUNVPXVTJRNCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-3-7-11-10-6-4-5-9(2)8-10/h4-6,8,11H,3,7H2,1-2H3.
What are the key properties of 3-methyl-N-propylaniline?
3-methyl-N-propylaniline has a molecular weight of 149.24 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propylaniline is sourced from PubChem (CID 4196607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).