2-(4-octylphenyl)-4-propan-2-ylaniline

C23H33N — CID 176881705

IUPAC2-(4-octylphenyl)-4-propan-2-ylaniline
SMILESCCCCCCCCc1ccc(-c2cc(C(C)C)ccc2N)cc1
InChIInChI=1S/C23H33N/c1-4-5-6-7-8-9-10-19-11-13-20(14-12-19)22-17-21(18(2)3)15-16-23(22)24/h11-18H,4-10,24H2,1-3H3
InChIKeyRLCTVDCIDAFECF-UHFFFAOYSA-N
MW323.52 g/mol
LogP6.96
Rot. Bonds9

About 2-(4-octylphenyl)-4-propan-2-ylaniline

2-(4-octylphenyl)-4-propan-2-ylaniline (PubChem CID 176881705) has the molecular formula C23H33N and a molecular weight of 323.52 g/mol. Its IUPAC name is 2-(4-octylphenyl)-4-propan-2-ylaniline.

Molecular Properties

Compound Name2-(4-octylphenyl)-4-propan-2-ylaniline
PubChem CID176881705
Molecular FormulaC23H33N
Molecular Weight323.52 g/mol
Exact Mass323.26
IUPAC Name2-(4-octylphenyl)-4-propan-2-ylaniline
SMILESCCCCCCCCc1ccc(-c2cc(C(C)C)ccc2N)cc1
InChIInChI=1S/C23H33N/c1-4-5-6-7-8-9-10-19-11-13-20(14-12-19)22-17-21(18(2)3)15-16-23(22)24/h11-18H,4-10,24H2,1-3H3
InChIKeyRLCTVDCIDAFECF-UHFFFAOYSA-N
XLogP6.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.52
LogP ≤ 56.96
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

1-heptyl-4-(4-propan-2-ylphenyl)benzene
CID 58842076
1-(4-octylphenyl)-5-propan-2-ylazulene
CID 19815733
2-(4-butylphenyl)benzene-1,4-diamine;dihydrochloride
CID 18371792
1-butyl-4-propan-2-ylbenzene;hexane
CID 142937575
(1S)-1-(4-hexylphenyl)ethanamine
CID 25324494
2-amino-2-(4-octylphenyl)ethanol
CID 19881300
4-dodecylaniline;nonadecane
CID 155059812
4-hexadecylaniline
CID 571906
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
1-nonyl-4-(4-propan-2-ylphenyl)iodanuidylbenzene
CID 151164547
cumene;1-hexyl-4-propan-2-ylbenzene;methane;propane
CID 157275582
1,3,6,8-tetrakis[4-(4-heptylphenyl)phenyl]pyrene
CID 102042747

Frequently Asked Questions

What is the IUPAC name of 2-(4-octylphenyl)-4-propan-2-ylaniline?
The IUPAC name of 2-(4-octylphenyl)-4-propan-2-ylaniline (CID 176881705) is 2-(4-octylphenyl)-4-propan-2-ylaniline.
What is the SMILES notation for 2-(4-octylphenyl)-4-propan-2-ylaniline?
The canonical SMILES for 2-(4-octylphenyl)-4-propan-2-ylaniline is CCCCCCCCc1ccc(-c2cc(C(C)C)ccc2N)cc1.
What is the InChIKey of 2-(4-octylphenyl)-4-propan-2-ylaniline?
The InChIKey is RLCTVDCIDAFECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N/c1-4-5-6-7-8-9-10-19-11-13-20(14-12-19)22-17-21(18(2)3)15-16-23(22)24/h11-18H,4-10,24H2,1-3H3.
What are the key properties of 2-(4-octylphenyl)-4-propan-2-ylaniline?
2-(4-octylphenyl)-4-propan-2-ylaniline has a molecular weight of 323.52 g/mol, XLogP of 6.96, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-octylphenyl)-4-propan-2-ylaniline is sourced from PubChem (CID 176881705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).