N-[(3-methylphenyl)methyl]-2-propylaniline

C17H21N — CID 43432338

IUPACN-[(3-methylphenyl)methyl]-2-propylaniline
SMILESCCCc1ccccc1NCc1cccc(C)c1
InChIInChI=1S/C17H21N/c1-3-7-16-10-4-5-11-17(16)18-13-15-9-6-8-14(2)12-15/h4-6,8-12,18H,3,7,13H2,1-2H3
InChIKeyLFXRWXWVVSKIJL-UHFFFAOYSA-N
MW239.36 g/mol
LogP4.56
Rot. Bonds5

About N-[(3-methylphenyl)methyl]-2-propylaniline

N-[(3-methylphenyl)methyl]-2-propylaniline (PubChem CID 43432338) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-2-propylaniline.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-2-propylaniline
PubChem CID43432338
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC NameN-[(3-methylphenyl)methyl]-2-propylaniline
SMILESCCCc1ccccc1NCc1cccc(C)c1
InChIInChI=1S/C17H21N/c1-3-7-16-10-4-5-11-17(16)18-13-15-9-6-8-14(2)12-15/h4-6,8-12,18H,3,7,13H2,1-2H3
InChIKeyLFXRWXWVVSKIJL-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

2-[(dimethylamino)methyl]-N-[(3-methylphenyl)methyl]aniline
CID 43435902
N-[(3-fluoro-4-methylphenyl)methyl]-2-propylaniline
CID 63645034
N-[(3-methylphenyl)methyl]naphthalen-1-amine
CID 23820233
N-[[4-(dimethylamino)phenyl]methyl]-2-propylaniline
CID 43687256
N-[(3-methylphenyl)methyl]-2-propan-2-yloxyaniline
CID 43739167
N-(3-phenylpropyl)-2-propylaniline
CID 43687217
2-propyl-N-(pyrimidin-2-ylmethyl)aniline
CID 62700857
2-(2-ethoxyethoxy)-N-[(3-methylphenyl)methyl]aniline
CID 54801770
[2-[(3-propoxyphenyl)methylamino]phenyl]methanol
CID 61017001
2-(2-methoxyethyl)-N-[[3-(methoxymethyl)phenyl]methyl]aniline
CID 102847288
2-N-ethyl-6-N-[(3-methylphenyl)methyl]pyridine-2,6-diamine
CID 80791291
2-(ethylamino)-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 62146693

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-2-propylaniline?
The IUPAC name of N-[(3-methylphenyl)methyl]-2-propylaniline (CID 43432338) is N-[(3-methylphenyl)methyl]-2-propylaniline.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-2-propylaniline?
The canonical SMILES for N-[(3-methylphenyl)methyl]-2-propylaniline is CCCc1ccccc1NCc1cccc(C)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-2-propylaniline?
The InChIKey is LFXRWXWVVSKIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-3-7-16-10-4-5-11-17(16)18-13-15-9-6-8-14(2)12-15/h4-6,8-12,18H,3,7,13H2,1-2H3.
What are the key properties of N-[(3-methylphenyl)methyl]-2-propylaniline?
N-[(3-methylphenyl)methyl]-2-propylaniline 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 N-[(3-methylphenyl)methyl]-2-propylaniline is sourced from PubChem (CID 43432338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).