N-[(5-methyl-3-pyridinyl)methyl]-4-propylaniline

C16H20N2 — CID 102880731

IUPACN-[(5-methyl-3-pyridinyl)methyl]-4-propylaniline
SMILESCCCc1ccc(NCc2cncc(C)c2)cc1
InChIInChI=1S/C16H20N2/c1-3-4-14-5-7-16(8-6-14)18-12-15-9-13(2)10-17-11-15/h5-11,18H,3-4,12H2,1-2H3
InChIKeyVQEFRSPOHQLBMG-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.95
Rot. Bonds5

About N-[(5-methyl-3-pyridinyl)methyl]-4-propylaniline

N-[(5-methyl-3-pyridinyl)methyl]-4-propylaniline (PubChem CID 102880731) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-[(5-methyl-3-pyridinyl)methyl]-4-propylaniline.

Molecular Properties

Compound NameN-[(5-methyl-3-pyridinyl)methyl]-4-propylaniline
PubChem CID102880731
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC NameN-[(5-methyl-3-pyridinyl)methyl]-4-propylaniline
SMILESCCCc1ccc(NCc2cncc(C)c2)cc1
InChIInChI=1S/C16H20N2/c1-3-4-14-5-7-16(8-6-14)18-12-15-9-13(2)10-17-11-15/h5-11,18H,3-4,12H2,1-2H3
InChIKeyVQEFRSPOHQLBMG-UHFFFAOYSA-N
XLogP3.95
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-butyl-N-[(5-methyl-3-pyridinyl)methyl]aniline
CID 102880730
4-butyl-N-[(3,5-dimethylphenyl)methyl]aniline
CID 60685123
N-[(5-methyl-2-pyridinyl)methyl]-4-propylaniline
CID 81311656
4-methyl-N-[(5-methyl-3-pyridinyl)methyl]-3-(trifluoromethyl)aniline
CID 102880807
N-[(2,5-dimethylphenyl)methyl]-4-propylaniline
CID 55198828
N-[(2,4-dimethylphenyl)methyl]-4-propylaniline
CID 28533928
4-chloro-3-methoxy-N-[(5-methyl-3-pyridinyl)methyl]aniline
CID 107621623
3-methyl-N-[(4-propylphenyl)methyl]aniline
CID 94687555
N-[(5-methyl-3-pyridinyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-amine
CID 102880645
2-chloro-4-[(5-methyl-3-pyridinyl)methylamino]benzonitrile
CID 113341163
2-methyl-N-[(5-methyl-3-pyridinyl)methyl]pentan-2-amine
CID 102794623
N-[(3,5-dimethoxyphenyl)methyl]-4-propylaniline
CID 29030576

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-3-pyridinyl)methyl]-4-propylaniline?
The IUPAC name of N-[(5-methyl-3-pyridinyl)methyl]-4-propylaniline (CID 102880731) is N-[(5-methyl-3-pyridinyl)methyl]-4-propylaniline.
What is the SMILES notation for N-[(5-methyl-3-pyridinyl)methyl]-4-propylaniline?
The canonical SMILES for N-[(5-methyl-3-pyridinyl)methyl]-4-propylaniline is CCCc1ccc(NCc2cncc(C)c2)cc1.
What is the InChIKey of N-[(5-methyl-3-pyridinyl)methyl]-4-propylaniline?
The InChIKey is VQEFRSPOHQLBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-3-4-14-5-7-16(8-6-14)18-12-15-9-13(2)10-17-11-15/h5-11,18H,3-4,12H2,1-2H3.
What are the key properties of N-[(5-methyl-3-pyridinyl)methyl]-4-propylaniline?
N-[(5-methyl-3-pyridinyl)methyl]-4-propylaniline has a molecular weight of 240.35 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-3-pyridinyl)methyl]-4-propylaniline is sourced from PubChem (CID 102880731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).