N-(2-heptylphenyl)naphthalen-2-amine

C23H27N — CID 54314273

IUPACN-(2-heptylphenyl)naphthalen-2-amine
SMILESCCCCCCCc1ccccc1Nc1ccc2ccccc2c1
InChIInChI=1S/C23H27N/c1-2-3-4-5-6-12-20-13-9-10-15-23(20)24-22-17-16-19-11-7-8-14-21(19)18-22/h7-11,13-18,24H,2-6,12H2,1H3
InChIKeySNAYHOYQQLYLNR-UHFFFAOYSA-N
MW317.48 g/mol
LogP7.10
Rot. Bonds8

About N-(2-heptylphenyl)naphthalen-2-amine

N-(2-heptylphenyl)naphthalen-2-amine (PubChem CID 54314273) has the molecular formula C23H27N and a molecular weight of 317.48 g/mol. Its IUPAC name is N-(2-heptylphenyl)naphthalen-2-amine.

Molecular Properties

Compound NameN-(2-heptylphenyl)naphthalen-2-amine
PubChem CID54314273
Molecular FormulaC23H27N
Molecular Weight317.48 g/mol
Exact Mass317.21
IUPAC NameN-(2-heptylphenyl)naphthalen-2-amine
SMILESCCCCCCCc1ccccc1Nc1ccc2ccccc2c1
InChIInChI=1S/C23H27N/c1-2-3-4-5-6-12-20-13-9-10-15-23(20)24-22-17-16-19-11-7-8-14-21(19)18-22/h7-11,13-18,24H,2-6,12H2,1H3
InChIKeySNAYHOYQQLYLNR-UHFFFAOYSA-N
XLogP7.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.48
LogP ≤ 57.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-pentyl-N-phenylaniline
CID 20516677
nonane;N-phenylnaphthalen-2-amine
CID 159912384
N-(2-dodecylphenyl)-1-heptylnaphthalen-2-amine
CID 70635504
N-hexadecylnaphthalen-2-amine
CID 12796089
1-N-ethyl-2-N-naphthalen-2-ylbenzene-1,2-diamine
CID 21321128
N-(2-prop-2-enylphenyl)naphthalen-2-amine
CID 66931436
2,3-diheptylanthracene
CID 14089075
2,3-dioctadecylpentacene
CID 91251003
3-decyl-N-methylnaphthalen-2-amine
CID 174703904
2,3-dihexadecyl-N-phenylaniline
CID 139699998
1-dodecyl-2-hexylbenzene
CID 19371073
1,2-di(undecyl)benzene
CID 3019479

Frequently Asked Questions

What is the IUPAC name of N-(2-heptylphenyl)naphthalen-2-amine?
The IUPAC name of N-(2-heptylphenyl)naphthalen-2-amine (CID 54314273) is N-(2-heptylphenyl)naphthalen-2-amine.
What is the SMILES notation for N-(2-heptylphenyl)naphthalen-2-amine?
The canonical SMILES for N-(2-heptylphenyl)naphthalen-2-amine is CCCCCCCc1ccccc1Nc1ccc2ccccc2c1.
What is the InChIKey of N-(2-heptylphenyl)naphthalen-2-amine?
The InChIKey is SNAYHOYQQLYLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N/c1-2-3-4-5-6-12-20-13-9-10-15-23(20)24-22-17-16-19-11-7-8-14-21(19)18-22/h7-11,13-18,24H,2-6,12H2,1H3.
What are the key properties of N-(2-heptylphenyl)naphthalen-2-amine?
N-(2-heptylphenyl)naphthalen-2-amine has a molecular weight of 317.48 g/mol, XLogP of 7.10, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-heptylphenyl)naphthalen-2-amine is sourced from PubChem (CID 54314273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).