4-methyl-2-(5-methyl-1-phenylhex-5-enyl)aniline

C20H25N — CID 142273388

IUPAC4-methyl-2-(5-methyl-1-phenylhex-5-enyl)aniline
SMILESC=C(C)CCCC(c1ccccc1)c1cc(C)ccc1N
InChIInChI=1S/C20H25N/c1-15(2)8-7-11-18(17-9-5-4-6-10-17)19-14-16(3)12-13-20(19)21/h4-6,9-10,12-14,18H,1,7-8,11,21H2,2-3H3
InChIKeyYMXXPFPIEPGPGF-UHFFFAOYSA-N
MW279.43 g/mol
LogP5.46
Rot. Bonds6

About 4-methyl-2-(5-methyl-1-phenylhex-5-enyl)aniline

4-methyl-2-(5-methyl-1-phenylhex-5-enyl)aniline (PubChem CID 142273388) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is 4-methyl-2-(5-methyl-1-phenylhex-5-enyl)aniline.

Molecular Properties

Compound Name4-methyl-2-(5-methyl-1-phenylhex-5-enyl)aniline
PubChem CID142273388
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC Name4-methyl-2-(5-methyl-1-phenylhex-5-enyl)aniline
SMILESC=C(C)CCCC(c1ccccc1)c1cc(C)ccc1N
InChIInChI=1S/C20H25N/c1-15(2)8-7-11-18(17-9-5-4-6-10-17)19-14-16(3)12-13-20(19)21/h4-6,9-10,12-14,18H,1,7-8,11,21H2,2-3H3
InChIKeyYMXXPFPIEPGPGF-UHFFFAOYSA-N
XLogP5.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.43
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(1-phenyloctyl)benzene-1,4-diamine
CID 66646057
6,6-diphenylhex-1-en-2-amine
CID 129049790
2-[(1S)-3-hydroxy-1-phenylpropyl]-4-methylphenol
CID 16754102
(1-bromo-6-methylhept-6-enyl)benzene
CID 114477375
4-methyl-1-(3-methylphenyl)pent-4-en-1-ol
CID 114473799
(2-amino-5-methylphenyl)-(3-fluorophenyl)methanol
CID 105489348
1-(2-amino-5-methylphenyl)butan-1-ol
CID 112541135
2-[(1R)-3-(dimethylamino)-1-phenylpropyl]-4-methylphenol
CID 59775365
(2-amino-5-methylphenyl)-(4-methylphenyl)methanol
CID 105484727
4-methyl-2-prop-1-en-2-ylsulfanylaniline
CID 142274466
2-[4,4-bis(dimethylamino)-1-phenylbutyl]-4-methylphenol
CID 16752583
2-[1-(2-fluorophenyl)propyl]-4-methylaniline
CID 142273313

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(5-methyl-1-phenylhex-5-enyl)aniline?
The IUPAC name of 4-methyl-2-(5-methyl-1-phenylhex-5-enyl)aniline (CID 142273388) is 4-methyl-2-(5-methyl-1-phenylhex-5-enyl)aniline.
What is the SMILES notation for 4-methyl-2-(5-methyl-1-phenylhex-5-enyl)aniline?
The canonical SMILES for 4-methyl-2-(5-methyl-1-phenylhex-5-enyl)aniline is C=C(C)CCCC(c1ccccc1)c1cc(C)ccc1N.
What is the InChIKey of 4-methyl-2-(5-methyl-1-phenylhex-5-enyl)aniline?
The InChIKey is YMXXPFPIEPGPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N/c1-15(2)8-7-11-18(17-9-5-4-6-10-17)19-14-16(3)12-13-20(19)21/h4-6,9-10,12-14,18H,1,7-8,11,21H2,2-3H3.
What are the key properties of 4-methyl-2-(5-methyl-1-phenylhex-5-enyl)aniline?
4-methyl-2-(5-methyl-1-phenylhex-5-enyl)aniline has a molecular weight of 279.43 g/mol, XLogP of 5.46, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(5-methyl-1-phenylhex-5-enyl)aniline is sourced from PubChem (CID 142273388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).