3-methyl-N-[(4-propylphenyl)methyl]aniline

C17H21N — CID 94687555

IUPAC3-methyl-N-[(4-propylphenyl)methyl]aniline
SMILESCCCc1ccc(CNc2cccc(C)c2)cc1
InChIInChI=1S/C17H21N/c1-3-5-15-8-10-16(11-9-15)13-18-17-7-4-6-14(2)12-17/h4,6-12,18H,3,5,13H2,1-2H3
InChIKeyJQVDDLCNABILPH-UHFFFAOYSA-N
MW239.36 g/mol
LogP4.56
Rot. Bonds5

About 3-methyl-N-[(4-propylphenyl)methyl]aniline

3-methyl-N-[(4-propylphenyl)methyl]aniline (PubChem CID 94687555) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-methyl-N-[(4-propylphenyl)methyl]aniline.

Molecular Properties

Compound Name3-methyl-N-[(4-propylphenyl)methyl]aniline
PubChem CID94687555
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name3-methyl-N-[(4-propylphenyl)methyl]aniline
SMILESCCCc1ccc(CNc2cccc(C)c2)cc1
InChIInChI=1S/C17H21N/c1-3-5-15-8-10-16(11-9-15)13-18-17-7-4-6-14(2)12-17/h4,6-12,18H,3,5,13H2,1-2H3
InChIKeyJQVDDLCNABILPH-UHFFFAOYSA-N
XLogP4.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-chlorophenyl)methyl]-3-methylaniline
CID 15533172
3-methyl-N-[(4-trimethylsilylphenyl)methyl]aniline
CID 103437428
4-[(3-methylanilino)methyl]benzamide
CID 28564307
3-methyl-N-[[4-[6-(4-methylphenyl)-1,2,4,5-tetraoxan-3-yl]phenyl]methyl]aniline
CID 53328328
N-hydroxy-4-[(3-methylanilino)methyl]benzamide
CID 170564878
N-[2-(4-fluorophenyl)ethyl]-3-methylaniline
CID 57041855
N-[(2-ethylphenyl)methyl]-3-methylaniline
CID 21444100
2,6-dibromo-4-[(3-methylanilino)methyl]phenol
CID 103619387
1-methyl-3-[4-(4-propylphenyl)phenyl]benzene
CID 123480159
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylaniline
CID 28609770
N-[[3-(aminomethyl)phenyl]methyl]-4-propylaniline
CID 115212901
3-methyl-N-[(1-methylpyrrol-3-yl)methyl]aniline
CID 66399139

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(4-propylphenyl)methyl]aniline?
The IUPAC name of 3-methyl-N-[(4-propylphenyl)methyl]aniline (CID 94687555) is 3-methyl-N-[(4-propylphenyl)methyl]aniline.
What is the SMILES notation for 3-methyl-N-[(4-propylphenyl)methyl]aniline?
The canonical SMILES for 3-methyl-N-[(4-propylphenyl)methyl]aniline is CCCc1ccc(CNc2cccc(C)c2)cc1.
What is the InChIKey of 3-methyl-N-[(4-propylphenyl)methyl]aniline?
The InChIKey is JQVDDLCNABILPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-3-5-15-8-10-16(11-9-15)13-18-17-7-4-6-14(2)12-17/h4,6-12,18H,3,5,13H2,1-2H3.
What are the key properties of 3-methyl-N-[(4-propylphenyl)methyl]aniline?
3-methyl-N-[(4-propylphenyl)methyl]aniline has a molecular weight of 239.36 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(4-propylphenyl)methyl]aniline is sourced from PubChem (CID 94687555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).