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

C17H21N — CID 116926083

IUPACN-methyl-4-[(4-propylphenyl)methyl]aniline
SMILESCCCc1ccc(Cc2ccc(NC)cc2)cc1
InChIInChI=1S/C17H21N/c1-3-4-14-5-7-15(8-6-14)13-16-9-11-17(18-2)12-10-16/h5-12,18H,3-4,13H2,1-2H3
InChIKeyXUFGNVNGCOHYCJ-UHFFFAOYSA-N
MW239.36 g/mol
LogP4.27
Rot. Bonds5

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

N-methyl-4-[(4-propylphenyl)methyl]aniline (PubChem CID 116926083) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is N-methyl-4-[(4-propylphenyl)methyl]aniline.

Molecular Properties

Compound NameN-methyl-4-[(4-propylphenyl)methyl]aniline
PubChem CID116926083
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC NameN-methyl-4-[(4-propylphenyl)methyl]aniline
SMILESCCCc1ccc(Cc2ccc(NC)cc2)cc1
InChIInChI=1S/C17H21N/c1-3-4-14-5-7-15(8-6-14)13-16-9-11-17(18-2)12-10-16/h5-12,18H,3-4,13H2,1-2H3
InChIKeyXUFGNVNGCOHYCJ-UHFFFAOYSA-N
XLogP4.27
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 ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-4-[[4-(methylamino)phenyl]methyl]aniline
CID 15735
1-propyl-4-[(4-propylphenyl)methyl]benzene
CID 4064340
[4-(methylamino)phenyl]-(4-propylphenyl)methanone
CID 116917420
diiodovanadium;ethane;methane;1-N-methyl-4-N-(4-propylphenyl)benzene-1,4-diamine
CID 162105692
N-methyl-4-nonadecylaniline
CID 175903606
4-hexadecyl-N-methylaniline
CID 22361119
4-[(4-butylphenyl)diazenyl]-N-methylaniline
CID 129106039
but-1-ene;4-butyl-N-methylaniline
CID 142016759
N-methyl-1-(4-propylphenyl)methanamine
CID 20666221
ethane;4-ethyl-N-methylaniline;methane
CID 142034195
1-methoxy-4-[(4-propylphenyl)methyl]benzene
CID 67608407
N-methoxy-4-propylaniline
CID 143258857

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(4-propylphenyl)methyl]aniline?
The IUPAC name of N-methyl-4-[(4-propylphenyl)methyl]aniline (CID 116926083) is N-methyl-4-[(4-propylphenyl)methyl]aniline.
What is the SMILES notation for N-methyl-4-[(4-propylphenyl)methyl]aniline?
The canonical SMILES for N-methyl-4-[(4-propylphenyl)methyl]aniline is CCCc1ccc(Cc2ccc(NC)cc2)cc1.
What is the InChIKey of N-methyl-4-[(4-propylphenyl)methyl]aniline?
The InChIKey is XUFGNVNGCOHYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-3-4-14-5-7-15(8-6-14)13-16-9-11-17(18-2)12-10-16/h5-12,18H,3-4,13H2,1-2H3.
What are the key properties of N-methyl-4-[(4-propylphenyl)methyl]aniline?
N-methyl-4-[(4-propylphenyl)methyl]aniline has a molecular weight of 239.36 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(4-propylphenyl)methyl]aniline is sourced from PubChem (CID 116926083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).