4-(3-ethyl-4-methyl-3-phenyldecan-4-yl)aniline

C25H37N — CID 134331731

IUPAC4-(3-ethyl-4-methyl-3-phenyldecan-4-yl)aniline
SMILESCCCCCCC(C)(c1ccc(N)cc1)C(CC)(CC)c1ccccc1
InChIInChI=1S/C25H37N/c1-5-8-9-13-20-24(4,21-16-18-23(26)19-17-21)25(6-2,7-3)22-14-11-10-12-15-22/h10-12,14-19H,5-9,13,20,26H2,1-4H3
InChIKeyLLKOQMGPFZTFOU-UHFFFAOYSA-N
MW351.58 g/mol
LogP7.25
Rot. Bonds10

About 4-(3-ethyl-4-methyl-3-phenyldecan-4-yl)aniline

4-(3-ethyl-4-methyl-3-phenyldecan-4-yl)aniline (PubChem CID 134331731) has the molecular formula C25H37N and a molecular weight of 351.58 g/mol. Its IUPAC name is 4-(3-ethyl-4-methyl-3-phenyldecan-4-yl)aniline.

Molecular Properties

Compound Name4-(3-ethyl-4-methyl-3-phenyldecan-4-yl)aniline
PubChem CID134331731
Molecular FormulaC25H37N
Molecular Weight351.58 g/mol
Exact Mass351.29
IUPAC Name4-(3-ethyl-4-methyl-3-phenyldecan-4-yl)aniline
SMILESCCCCCCC(C)(c1ccc(N)cc1)C(CC)(CC)c1ccccc1
InChIInChI=1S/C25H37N/c1-5-8-9-13-20-24(4,21-16-18-23(26)19-17-21)25(6-2,7-3)22-14-11-10-12-15-22/h10-12,14-19H,5-9,13,20,26H2,1-4H3
InChIKeyLLKOQMGPFZTFOU-UHFFFAOYSA-N
XLogP7.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.58
LogP ≤ 57.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(5,6-diethyl-6-phenyldecan-5-yl)benzene
CID 10545838
2-phenyldecan-2-amine
CID 63408050
1,1-diphenyldodecan-1-amine
CID 19925745
[(3S)-2,2,3-trimethylheptan-3-yl]benzene
CID 158389582
2-phenylicosan-2-amine;hydrochloride
CID 173065845
4-[2-[4-[3-(2-carboxyethyl)-2-methyl-3-phenylpentadecan-2-yl]phenyl]propan-2-yl]-4-phenylhexadecanoic acid
CID 126649811
1,1-diphenylhexan-1-amine
CID 20568221
15-phenylnonacosan-15-ylbenzene
CID 141310981
4-[[4-[2-[4-[(4-aminophenyl)methyl]phenyl]tetradecan-2-yl]phenyl]methyl]aniline
CID 22316084
4-[[4-[2-[4-[(4-aminophenyl)methyl]phenyl]decan-2-yl]phenyl]methyl]aniline
CID 22315979
tert-butylbenzene;hexane
CID 175254424
4-[5-(3-aminopropyl)dodecan-5-yl]aniline
CID 56995609

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-4-methyl-3-phenyldecan-4-yl)aniline?
The IUPAC name of 4-(3-ethyl-4-methyl-3-phenyldecan-4-yl)aniline (CID 134331731) is 4-(3-ethyl-4-methyl-3-phenyldecan-4-yl)aniline.
What is the SMILES notation for 4-(3-ethyl-4-methyl-3-phenyldecan-4-yl)aniline?
The canonical SMILES for 4-(3-ethyl-4-methyl-3-phenyldecan-4-yl)aniline is CCCCCCC(C)(c1ccc(N)cc1)C(CC)(CC)c1ccccc1.
What is the InChIKey of 4-(3-ethyl-4-methyl-3-phenyldecan-4-yl)aniline?
The InChIKey is LLKOQMGPFZTFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N/c1-5-8-9-13-20-24(4,21-16-18-23(26)19-17-21)25(6-2,7-3)22-14-11-10-12-15-22/h10-12,14-19H,5-9,13,20,26H2,1-4H3.
What are the key properties of 4-(3-ethyl-4-methyl-3-phenyldecan-4-yl)aniline?
4-(3-ethyl-4-methyl-3-phenyldecan-4-yl)aniline has a molecular weight of 351.58 g/mol, XLogP of 7.25, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-4-methyl-3-phenyldecan-4-yl)aniline is sourced from PubChem (CID 134331731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).