2-(2-methyltetradecan-2-yl)aniline

C21H37N — CID 46835335

IUPAC2-(2-methyltetradecan-2-yl)aniline
SMILESCCCCCCCCCCCCC(C)(C)c1ccccc1N
InChIInChI=1S/C21H37N/c1-4-5-6-7-8-9-10-11-12-15-18-21(2,3)19-16-13-14-17-20(19)22/h13-14,16-17H,4-12,15,18,22H2,1-3H3
InChIKeyDFCGDYHGRKJQLI-UHFFFAOYSA-N
MW303.53 g/mol
LogP6.86
Rot. Bonds12

About 2-(2-methyltetradecan-2-yl)aniline

2-(2-methyltetradecan-2-yl)aniline (PubChem CID 46835335) has the molecular formula C21H37N and a molecular weight of 303.53 g/mol. Its IUPAC name is 2-(2-methyltetradecan-2-yl)aniline.

Molecular Properties

Compound Name2-(2-methyltetradecan-2-yl)aniline
PubChem CID46835335
Molecular FormulaC21H37N
Molecular Weight303.53 g/mol
Exact Mass303.29
IUPAC Name2-(2-methyltetradecan-2-yl)aniline
SMILESCCCCCCCCCCCCC(C)(C)c1ccccc1N
InChIInChI=1S/C21H37N/c1-4-5-6-7-8-9-10-11-12-15-18-21(2,3)19-16-13-14-17-20(19)22/h13-14,16-17H,4-12,15,18,22H2,1-3H3
InChIKeyDFCGDYHGRKJQLI-UHFFFAOYSA-N
XLogP6.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.53
LogP ≤ 56.86
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

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CID 173398829
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1-methoxy-2-(2-methylundecan-2-yl)benzene
CID 56625929
2-(2,4,4-trimethylpentan-2-yl)aniline
CID 67789986
1,2-dimethyl-3-(2-methylheptan-2-yl)benzene
CID 175950206
3,6-bis(2-methylheptan-2-yl)benzene-1,2-diol
CID 54503359
2-[2-(2-hydroxyphenyl)octan-2-yl]phenol
CID 22402788
benzene-1,2-diamine;decan-1-amine
CID 174921659
2-[2-(2-aminophenyl)butan-2-yl]aniline
CID 139712406
2-(2-docosylphenyl)tetracosan-2-amine
CID 89487184
1-(2-chlorododecan-2-yl)-2-methylbenzene
CID 140998406

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyltetradecan-2-yl)aniline?
The IUPAC name of 2-(2-methyltetradecan-2-yl)aniline (CID 46835335) is 2-(2-methyltetradecan-2-yl)aniline.
What is the SMILES notation for 2-(2-methyltetradecan-2-yl)aniline?
The canonical SMILES for 2-(2-methyltetradecan-2-yl)aniline is CCCCCCCCCCCCC(C)(C)c1ccccc1N.
What is the InChIKey of 2-(2-methyltetradecan-2-yl)aniline?
The InChIKey is DFCGDYHGRKJQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N/c1-4-5-6-7-8-9-10-11-12-15-18-21(2,3)19-16-13-14-17-20(19)22/h13-14,16-17H,4-12,15,18,22H2,1-3H3.
What are the key properties of 2-(2-methyltetradecan-2-yl)aniline?
2-(2-methyltetradecan-2-yl)aniline has a molecular weight of 303.53 g/mol, XLogP of 6.86, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyltetradecan-2-yl)aniline is sourced from PubChem (CID 46835335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).