2,5-dimethyl-N-[(E)-2-(4-methylphenyl)prop-1-enyl]aniline

C18H21N — CID 59110370

IUPAC2,5-dimethyl-N-[(E)-2-(4-methylphenyl)prop-1-enyl]aniline
SMILESC/C(=C\Nc1cc(C)ccc1C)c1ccc(C)cc1
InChIInChI=1S/C18H21N/c1-13-6-9-17(10-7-13)16(4)12-19-18-11-14(2)5-8-15(18)3/h5-12,19H,1-4H3/b16-12+
InChIKeyLSVOIZQOLGQXRL-FOWTUZBSSA-N
MW251.37 g/mol
LogP5.08
Rot. Bonds3

About 2,5-dimethyl-N-[(E)-2-(4-methylphenyl)prop-1-enyl]aniline

2,5-dimethyl-N-[(E)-2-(4-methylphenyl)prop-1-enyl]aniline (PubChem CID 59110370) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is 2,5-dimethyl-N-[(E)-2-(4-methylphenyl)prop-1-enyl]aniline.

Molecular Properties

Compound Name2,5-dimethyl-N-[(E)-2-(4-methylphenyl)prop-1-enyl]aniline
PubChem CID59110370
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name2,5-dimethyl-N-[(E)-2-(4-methylphenyl)prop-1-enyl]aniline
SMILESC/C(=C\Nc1cc(C)ccc1C)c1ccc(C)cc1
InChIInChI=1S/C18H21N/c1-13-6-9-17(10-7-13)16(4)12-19-18-11-14(2)5-8-15(18)3/h5-12,19H,1-4H3/b16-12+
InChIKeyLSVOIZQOLGQXRL-FOWTUZBSSA-N
XLogP5.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.37
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,5-dimethylphenyl)methanethioamide
CID 123161887
methyl (E)-2-cyano-3-(2,5-dimethylanilino)prop-2-enoate
CID 17138291
N-(2,5-dimethylphenyl)formamide;methane
CID 143644510
1-[(Z)-but-2-en-2-yl]-4-methylbenzene
CID 58843251
1-but-2-en-2-yl-4-methylbenzene
CID 12583115
1-(4-bromophenyl)-3-(2,5-dimethylanilino)prop-2-en-1-one
CID 2917145
N-(2,5-dimethylphenyl)-N'-ethylmethanimidamide
CID 135275915
N-(2-methyl-5-prop-1-en-2-ylphenyl)formamide
CID 143698511
N-chloro-2,5-dimethylaniline
CID 141218472
N-bromo-2,5-dimethylaniline
CID 154170384
1-methyl-4-[(2E,5E)-6-(4-methylphenyl)hepta-2,5-dien-2-yl]benzene
CID 169013280
1-methyl-4-prop-1-en-2-ylbenzene;1,2,4-trimethylbenzene
CID 143923034

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[(E)-2-(4-methylphenyl)prop-1-enyl]aniline?
The IUPAC name of 2,5-dimethyl-N-[(E)-2-(4-methylphenyl)prop-1-enyl]aniline (CID 59110370) is 2,5-dimethyl-N-[(E)-2-(4-methylphenyl)prop-1-enyl]aniline.
What is the SMILES notation for 2,5-dimethyl-N-[(E)-2-(4-methylphenyl)prop-1-enyl]aniline?
The canonical SMILES for 2,5-dimethyl-N-[(E)-2-(4-methylphenyl)prop-1-enyl]aniline is C/C(=C\Nc1cc(C)ccc1C)c1ccc(C)cc1.
What is the InChIKey of 2,5-dimethyl-N-[(E)-2-(4-methylphenyl)prop-1-enyl]aniline?
The InChIKey is LSVOIZQOLGQXRL-FOWTUZBSSA-N. The full InChI is InChI=1S/C18H21N/c1-13-6-9-17(10-7-13)16(4)12-19-18-11-14(2)5-8-15(18)3/h5-12,19H,1-4H3/b16-12+.
What are the key properties of 2,5-dimethyl-N-[(E)-2-(4-methylphenyl)prop-1-enyl]aniline?
2,5-dimethyl-N-[(E)-2-(4-methylphenyl)prop-1-enyl]aniline has a molecular weight of 251.37 g/mol, XLogP of 5.08, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[(E)-2-(4-methylphenyl)prop-1-enyl]aniline is sourced from PubChem (CID 59110370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).