2,4,6-trimethyl-N-(5-phenylpent-1-en-3-yl)aniline

C20H25N — CID 102050162

IUPAC2,4,6-trimethyl-N-(5-phenylpent-1-en-3-yl)aniline
SMILESC=CC(CCc1ccccc1)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C20H25N/c1-5-19(12-11-18-9-7-6-8-10-18)21-20-16(3)13-15(2)14-17(20)4/h5-10,13-14,19,21H,1,11-12H2,2-4H3
InChIKeyWIUZMHSHAVDKGK-UHFFFAOYSA-N
MW279.43 g/mol
LogP5.21
Rot. Bonds6

About 2,4,6-trimethyl-N-(5-phenylpent-1-en-3-yl)aniline

2,4,6-trimethyl-N-(5-phenylpent-1-en-3-yl)aniline (PubChem CID 102050162) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-(5-phenylpent-1-en-3-yl)aniline.

Molecular Properties

Compound Name2,4,6-trimethyl-N-(5-phenylpent-1-en-3-yl)aniline
PubChem CID102050162
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC Name2,4,6-trimethyl-N-(5-phenylpent-1-en-3-yl)aniline
SMILESC=CC(CCc1ccccc1)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C20H25N/c1-5-19(12-11-18-9-7-6-8-10-18)21-20-16(3)13-15(2)14-17(20)4/h5-10,13-14,19,21H,1,11-12H2,2-4H3
InChIKeyWIUZMHSHAVDKGK-UHFFFAOYSA-N
XLogP5.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.43
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3R)-N-methyl-5-phenylpent-1-en-3-amine
CID 124509710
N-benzyl-5-phenylpent-1-en-3-amine
CID 11402494
5-(3-methylphenyl)pent-1-en-3-ylhydrazine
CID 105318126
5-(4-methylphenyl)pent-1-en-3-ylhydrazine
CID 105317953
5-(3-methylphenyl)-N-propylpent-1-en-3-amine
CID 105161314
2,6-dibromo-4-methyl-N-(4-phenylbutan-2-yl)aniline
CID 63425771
1-[2-(3,5-dimethylphenyl)ethyl]-3,5-dimethylbenzene;2-phenylethylbenzene
CID 173107098
(3S)-4-methyl-1-phenylhex-5-en-3-ol
CID 177392866
(4S)-4-methyl-1-phenylhex-5-en-3-ol
CID 12938739
2,5-dimethyl-N-(4-phenylbutan-2-yl)aniline
CID 43094637
[1-(2-fluoro-4,6-dimethylphenyl)-3-phenylpropyl]hydrazine
CID 106884252
(2S)-2-methyl-3-phenyl-N-(2,4,6-trimethylphenyl)propanamide
CID 793462

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-(5-phenylpent-1-en-3-yl)aniline?
The IUPAC name of 2,4,6-trimethyl-N-(5-phenylpent-1-en-3-yl)aniline (CID 102050162) is 2,4,6-trimethyl-N-(5-phenylpent-1-en-3-yl)aniline.
What is the SMILES notation for 2,4,6-trimethyl-N-(5-phenylpent-1-en-3-yl)aniline?
The canonical SMILES for 2,4,6-trimethyl-N-(5-phenylpent-1-en-3-yl)aniline is C=CC(CCc1ccccc1)Nc1c(C)cc(C)cc1C.
What is the InChIKey of 2,4,6-trimethyl-N-(5-phenylpent-1-en-3-yl)aniline?
The InChIKey is WIUZMHSHAVDKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N/c1-5-19(12-11-18-9-7-6-8-10-18)21-20-16(3)13-15(2)14-17(20)4/h5-10,13-14,19,21H,1,11-12H2,2-4H3.
What are the key properties of 2,4,6-trimethyl-N-(5-phenylpent-1-en-3-yl)aniline?
2,4,6-trimethyl-N-(5-phenylpent-1-en-3-yl)aniline has a molecular weight of 279.43 g/mol, XLogP of 5.21, 6 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-(5-phenylpent-1-en-3-yl)aniline is sourced from PubChem (CID 102050162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).