2-(2-dodecylphenyl)naphthalen-1-amine

C28H37N — CID 67724927

IUPAC2-(2-dodecylphenyl)naphthalen-1-amine
SMILESCCCCCCCCCCCCc1ccccc1-c1ccc2ccccc2c1N
InChIInChI=1S/C28H37N/c1-2-3-4-5-6-7-8-9-10-11-16-23-17-12-14-19-25(23)27-22-21-24-18-13-15-20-26(24)28(27)29/h12-15,17-22H,2-11,16,29H2,1H3
InChIKeyYWGJUTQBQMTFRH-UHFFFAOYSA-N
MW387.61 g/mol
LogP8.55
Rot. Bonds12

About 2-(2-dodecylphenyl)naphthalen-1-amine

2-(2-dodecylphenyl)naphthalen-1-amine (PubChem CID 67724927) has the molecular formula C28H37N and a molecular weight of 387.61 g/mol. Its IUPAC name is 2-(2-dodecylphenyl)naphthalen-1-amine.

Molecular Properties

Compound Name2-(2-dodecylphenyl)naphthalen-1-amine
PubChem CID67724927
Molecular FormulaC28H37N
Molecular Weight387.61 g/mol
Exact Mass387.29
IUPAC Name2-(2-dodecylphenyl)naphthalen-1-amine
SMILESCCCCCCCCCCCCc1ccccc1-c1ccc2ccccc2c1N
InChIInChI=1S/C28H37N/c1-2-3-4-5-6-7-8-9-10-11-16-23-17-12-14-19-25(23)27-22-21-24-18-13-15-20-26(24)28(27)29/h12-15,17-22H,2-11,16,29H2,1H3
InChIKeyYWGJUTQBQMTFRH-UHFFFAOYSA-N
XLogP8.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.61
LogP ≤ 58.55
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

2-hexadecylnaphthalen-1-amine
CID 57354886
2-(2-butylphenyl)-1-[2-(2-butylphenyl)naphthalen-1-yl]oxynaphthalene
CID 67797892
1-tetradecylnaphthalene
CID 14402128
2-tetradecylaniline
CID 22218918
potassium;hydride;1-octylnaphthalene
CID 173443599
1,2-didecylnaphthalene
CID 22410831
2-decyl-1-methylnaphthalene
CID 154261310
1,2-di(icosyl)naphthalene
CID 90782201
1-[(E)-icos-9-enyl]naphthalene
CID 101307696
1-[(E)-heptadec-10-enyl]naphthalene
CID 101307596
2-(2-prop-2-enylphenyl)naphthalen-1-amine
CID 70019224
1-[(E)-pentadec-7-enyl]naphthalene
CID 101307533

Frequently Asked Questions

What is the IUPAC name of 2-(2-dodecylphenyl)naphthalen-1-amine?
The IUPAC name of 2-(2-dodecylphenyl)naphthalen-1-amine (CID 67724927) is 2-(2-dodecylphenyl)naphthalen-1-amine.
What is the SMILES notation for 2-(2-dodecylphenyl)naphthalen-1-amine?
The canonical SMILES for 2-(2-dodecylphenyl)naphthalen-1-amine is CCCCCCCCCCCCc1ccccc1-c1ccc2ccccc2c1N.
What is the InChIKey of 2-(2-dodecylphenyl)naphthalen-1-amine?
The InChIKey is YWGJUTQBQMTFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N/c1-2-3-4-5-6-7-8-9-10-11-16-23-17-12-14-19-25(23)27-22-21-24-18-13-15-20-26(24)28(27)29/h12-15,17-22H,2-11,16,29H2,1H3.
What are the key properties of 2-(2-dodecylphenyl)naphthalen-1-amine?
2-(2-dodecylphenyl)naphthalen-1-amine has a molecular weight of 387.61 g/mol, XLogP of 8.55, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-dodecylphenyl)naphthalen-1-amine is sourced from PubChem (CID 67724927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).