2,4,6-trimethyl-N-(2-phenylpropyl)aniline

C18H23N — CID 55192336

IUPAC2,4,6-trimethyl-N-(2-phenylpropyl)aniline
SMILESCc1cc(C)c(NCC(C)c2ccccc2)c(C)c1
InChIInChI=1S/C18H23N/c1-13-10-14(2)18(15(3)11-13)19-12-16(4)17-8-6-5-7-9-17/h5-11,16,19H,12H2,1-4H3
InChIKeyIMLGLHQDVRQYEH-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.83
Rot. Bonds4

About 2,4,6-trimethyl-N-(2-phenylpropyl)aniline

2,4,6-trimethyl-N-(2-phenylpropyl)aniline (PubChem CID 55192336) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-(2-phenylpropyl)aniline.

Molecular Properties

Compound Name2,4,6-trimethyl-N-(2-phenylpropyl)aniline
PubChem CID55192336
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name2,4,6-trimethyl-N-(2-phenylpropyl)aniline
SMILESCc1cc(C)c(NCC(C)c2ccccc2)c(C)c1
InChIInChI=1S/C18H23N/c1-13-10-14(2)18(15(3)11-13)19-12-16(4)17-8-6-5-7-9-17/h5-11,16,19H,12H2,1-4H3
InChIKeyIMLGLHQDVRQYEH-UHFFFAOYSA-N
XLogP4.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-phenylethyl)-2-(2,4,6-trimethylanilino)acetamide
CID 54812168
5-methyl-3-N-(2-phenylpropyl)benzene-1,3-diamine
CID 113430182
4-bromo-2,6-difluoro-N-(2-phenylpropyl)aniline
CID 65470059
4-bromo-3-methyl-N-(2-phenylpropyl)aniline
CID 43102221
5-chloro-2-methyl-N-(2-phenylpropyl)aniline
CID 43103911
(2R)-2-phenyl-N-[(2S)-2-phenylpropyl]propan-1-amine
CID 7054159
3-N,3-N,4-trimethyl-1-N-(2-phenylpropyl)benzene-1,3-diamine
CID 115376642
(2S)-2-(cyclodecapentaenyl)-N-methylpropan-1-amine
CID 166722722
1-(3-methoxyphenyl)-2-phenyl-3-(2,4,6-trimethylanilino)propan-1-ol
CID 132539906
2,4-dimethyl-N-[(2S)-2-phenylpropyl]benzamide
CID 26778990
2,6-dimethyl-3-(2-phenylpropylamino)phenol
CID 43741638
N-[(1S)-1-(3-methylphenyl)ethyl]-2-phenylpropan-1-amine
CID 81364263

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-(2-phenylpropyl)aniline?
The IUPAC name of 2,4,6-trimethyl-N-(2-phenylpropyl)aniline (CID 55192336) is 2,4,6-trimethyl-N-(2-phenylpropyl)aniline.
What is the SMILES notation for 2,4,6-trimethyl-N-(2-phenylpropyl)aniline?
The canonical SMILES for 2,4,6-trimethyl-N-(2-phenylpropyl)aniline is Cc1cc(C)c(NCC(C)c2ccccc2)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-(2-phenylpropyl)aniline?
The InChIKey is IMLGLHQDVRQYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-13-10-14(2)18(15(3)11-13)19-12-16(4)17-8-6-5-7-9-17/h5-11,16,19H,12H2,1-4H3.
What are the key properties of 2,4,6-trimethyl-N-(2-phenylpropyl)aniline?
2,4,6-trimethyl-N-(2-phenylpropyl)aniline has a molecular weight of 253.39 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-(2-phenylpropyl)aniline is sourced from PubChem (CID 55192336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).