N-(4-phenylbutyl)naphthalen-2-amine

C20H21N — CID 114333200

IUPACN-(4-phenylbutyl)naphthalen-2-amine
SMILESc1ccc(CCCCNc2ccc3ccccc3c2)cc1
InChIInChI=1S/C20H21N/c1-2-8-17(9-3-1)10-6-7-15-21-20-14-13-18-11-4-5-12-19(18)16-20/h1-5,8-9,11-14,16,21H,6-7,10,15H2
InChIKeyQUTYOVTTZRTFBG-UHFFFAOYSA-N
MW275.40 g/mol
LogP5.27
Rot. Bonds6

About N-(4-phenylbutyl)naphthalen-2-amine

N-(4-phenylbutyl)naphthalen-2-amine (PubChem CID 114333200) has the molecular formula C20H21N and a molecular weight of 275.40 g/mol. Its IUPAC name is N-(4-phenylbutyl)naphthalen-2-amine.

Molecular Properties

Compound NameN-(4-phenylbutyl)naphthalen-2-amine
PubChem CID114333200
Molecular FormulaC20H21N
Molecular Weight275.40 g/mol
Exact Mass275.17
IUPAC NameN-(4-phenylbutyl)naphthalen-2-amine
SMILESc1ccc(CCCCNc2ccc3ccccc3c2)cc1
InChIInChI=1S/C20H21N/c1-2-8-17(9-3-1)10-6-7-15-21-20-14-13-18-11-4-5-12-19(18)16-20/h1-5,8-9,11-14,16,21H,6-7,10,15H2
InChIKeyQUTYOVTTZRTFBG-UHFFFAOYSA-N
XLogP5.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.40
LogP ≤ 55.27
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

4-naphthalen-2-yl-N-(4-phenylbutyl)aniline
CID 58008284
N-hexadecylnaphthalen-2-amine
CID 12796089
N'-naphthalen-2-ylhexane-1,6-diamine
CID 83955962
5-(naphthalen-2-ylamino)pentanoic acid
CID 28972022
6-(naphthalen-2-ylamino)hexanoic acid
CID 14979105
3-bromo-4-methyl-N-(4-phenylbutyl)aniline
CID 114333358
3-ethyl-N-(4-phenylbutyl)aniline
CID 114333153
4-tert-butyl-N-(4-phenylbutyl)aniline
CID 114333099
N-(5-methylsulfanylpentyl)naphthalen-2-amine
CID 114127751
3,5-dimethoxy-N-(4-phenylbutyl)aniline
CID 114333116
3-N-(5-phenylpentyl)benzene-1,3-diamine
CID 59708329
N-(3-phenylpropyl)-1-benzothiophen-5-amine
CID 43687656

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylbutyl)naphthalen-2-amine?
The IUPAC name of N-(4-phenylbutyl)naphthalen-2-amine (CID 114333200) is N-(4-phenylbutyl)naphthalen-2-amine.
What is the SMILES notation for N-(4-phenylbutyl)naphthalen-2-amine?
The canonical SMILES for N-(4-phenylbutyl)naphthalen-2-amine is c1ccc(CCCCNc2ccc3ccccc3c2)cc1.
What is the InChIKey of N-(4-phenylbutyl)naphthalen-2-amine?
The InChIKey is QUTYOVTTZRTFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N/c1-2-8-17(9-3-1)10-6-7-15-21-20-14-13-18-11-4-5-12-19(18)16-20/h1-5,8-9,11-14,16,21H,6-7,10,15H2.
What are the key properties of N-(4-phenylbutyl)naphthalen-2-amine?
N-(4-phenylbutyl)naphthalen-2-amine has a molecular weight of 275.40 g/mol, XLogP of 5.27, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylbutyl)naphthalen-2-amine is sourced from PubChem (CID 114333200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).