4-[(dimethylamino)methyl]-N-[(2-ethylphenyl)methyl]aniline

C18H24N2 — CID 62392123

IUPAC4-[(dimethylamino)methyl]-N-[(2-ethylphenyl)methyl]aniline
SMILESCCc1ccccc1CNc1ccc(CN(C)C)cc1
InChIInChI=1S/C18H24N2/c1-4-16-7-5-6-8-17(16)13-19-18-11-9-15(10-12-18)14-20(2)3/h5-12,19H,4,13-14H2,1-3H3
InChIKeyNEOJMJCQMRDYFE-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.92
Rot. Bonds6

About 4-[(dimethylamino)methyl]-N-[(2-ethylphenyl)methyl]aniline

4-[(dimethylamino)methyl]-N-[(2-ethylphenyl)methyl]aniline (PubChem CID 62392123) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]-N-[(2-ethylphenyl)methyl]aniline.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]-N-[(2-ethylphenyl)methyl]aniline
PubChem CID62392123
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name4-[(dimethylamino)methyl]-N-[(2-ethylphenyl)methyl]aniline
SMILESCCc1ccccc1CNc1ccc(CN(C)C)cc1
InChIInChI=1S/C18H24N2/c1-4-16-7-5-6-8-17(16)13-19-18-11-9-15(10-12-18)14-20(2)3/h5-12,19H,4,13-14H2,1-3H3
InChIKeyNEOJMJCQMRDYFE-UHFFFAOYSA-N
XLogP3.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-bromophenyl)methyl]-4-[(dimethylamino)methyl]aniline
CID 43747278
[4-[(2-ethylphenyl)methylamino]phenyl]methanesulfonamide
CID 62391957
N-[(3-chloro-2-fluorophenyl)methyl]-4-[(dimethylamino)methyl]aniline
CID 115743043
4-ethoxy-N-[(2-ethylphenyl)methyl]aniline
CID 62391033
4-[(dimethylamino)methyl]-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]aniline
CID 79612301
N-[(2-ethylphenyl)methyl]-4-(triazol-2-yl)aniline
CID 62391950
N-ethyl-4-[(2-ethylphenyl)methylamino]benzamide
CID 62391591
1-(4-ethylphenyl)-N-[(2-ethylphenyl)methyl]methanamine
CID 64680912
N-[(2-ethylphenyl)methyl]-3-methylaniline
CID 21444100
2-ethyl-N-[(2-ethylphenyl)methyl]aniline
CID 55197677
N-[(2-bromo-5-methoxyphenyl)methyl]-4-[(dimethylamino)methyl]aniline
CID 103827943
N-[(2-ethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 62392429

Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]-N-[(2-ethylphenyl)methyl]aniline?
The IUPAC name of 4-[(dimethylamino)methyl]-N-[(2-ethylphenyl)methyl]aniline (CID 62392123) is 4-[(dimethylamino)methyl]-N-[(2-ethylphenyl)methyl]aniline.
What is the SMILES notation for 4-[(dimethylamino)methyl]-N-[(2-ethylphenyl)methyl]aniline?
The canonical SMILES for 4-[(dimethylamino)methyl]-N-[(2-ethylphenyl)methyl]aniline is CCc1ccccc1CNc1ccc(CN(C)C)cc1.
What is the InChIKey of 4-[(dimethylamino)methyl]-N-[(2-ethylphenyl)methyl]aniline?
The InChIKey is NEOJMJCQMRDYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-4-16-7-5-6-8-17(16)13-19-18-11-9-15(10-12-18)14-20(2)3/h5-12,19H,4,13-14H2,1-3H3.
What are the key properties of 4-[(dimethylamino)methyl]-N-[(2-ethylphenyl)methyl]aniline?
4-[(dimethylamino)methyl]-N-[(2-ethylphenyl)methyl]aniline has a molecular weight of 268.40 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]-N-[(2-ethylphenyl)methyl]aniline is sourced from PubChem (CID 62392123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).