2-tetradecylaniline

C20H35N — CID 22218918

IUPAC2-tetradecylaniline
SMILESCCCCCCCCCCCCCCc1ccccc1N
InChIInChI=1S/C20H35N/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-17-14-15-18-20(19)21/h14-15,17-18H,2-13,16,21H2,1H3
InChIKeyUAEWPGUFBCWKAJ-UHFFFAOYSA-N
MW289.51 g/mol
LogP6.51
Rot. Bonds13

About 2-tetradecylaniline

2-tetradecylaniline (PubChem CID 22218918) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is 2-tetradecylaniline.

Molecular Properties

Compound Name2-tetradecylaniline
PubChem CID22218918
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC Name2-tetradecylaniline
SMILESCCCCCCCCCCCCCCc1ccccc1N
InChIInChI=1S/C20H35N/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-17-14-15-18-20(19)21/h14-15,17-18H,2-13,16,21H2,1H3
InChIKeyUAEWPGUFBCWKAJ-UHFFFAOYSA-N
XLogP6.51
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 56.51
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-dodecyl-2-hexylbenzene
CID 19371073
1-nonyl-2-pentylbenzene
CID 54050070
1-hexadecyl-2-pentylbenzene
CID 53438584
1,2-di(nonadecyl)benzene
CID 101289987
1,2-di(undecyl)benzene
CID 3019479
3-hexadecylbenzene-1,2-diamine
CID 21486063
3-heptylbenzene-1,2-diamine
CID 54294278
1,2-dihexylbenzene;hydrate
CID 172833093
(2-heptylphenyl)methanamine
CID 57355618
5-(2-pentylphenyl)pentan-1-amine
CID 54207535
2-butyl-6-octylaniline
CID 154074002
2-(6,6-difluorohexyl)aniline
CID 70016284

Frequently Asked Questions

What is the IUPAC name of 2-tetradecylaniline?
The IUPAC name of 2-tetradecylaniline (CID 22218918) is 2-tetradecylaniline.
What is the SMILES notation for 2-tetradecylaniline?
The canonical SMILES for 2-tetradecylaniline is CCCCCCCCCCCCCCc1ccccc1N.
What is the InChIKey of 2-tetradecylaniline?
The InChIKey is UAEWPGUFBCWKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-17-14-15-18-20(19)21/h14-15,17-18H,2-13,16,21H2,1H3.
What are the key properties of 2-tetradecylaniline?
2-tetradecylaniline has a molecular weight of 289.51 g/mol, XLogP of 6.51, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tetradecylaniline is sourced from PubChem (CID 22218918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).