N-(2-phenoxybutyl)naphthalen-1-amine

C20H21NO — CID 46736265

IUPACN-(2-phenoxybutyl)naphthalen-1-amine
SMILESCCC(CNc1cccc2ccccc12)Oc1ccccc1
InChIInChI=1S/C20H21NO/c1-2-17(22-18-11-4-3-5-12-18)15-21-20-14-8-10-16-9-6-7-13-19(16)20/h3-14,17,21H,2,15H2,1H3
InChIKeyLEWQXBHVZIDSAQ-UHFFFAOYSA-N
MW291.39 g/mol
LogP5.11
Rot. Bonds6

About N-(2-phenoxybutyl)naphthalen-1-amine

N-(2-phenoxybutyl)naphthalen-1-amine (PubChem CID 46736265) has the molecular formula C20H21NO and a molecular weight of 291.39 g/mol. Its IUPAC name is N-(2-phenoxybutyl)naphthalen-1-amine.

Molecular Properties

Compound NameN-(2-phenoxybutyl)naphthalen-1-amine
PubChem CID46736265
Molecular FormulaC20H21NO
Molecular Weight291.39 g/mol
Exact Mass291.16
IUPAC NameN-(2-phenoxybutyl)naphthalen-1-amine
SMILESCCC(CNc1cccc2ccccc12)Oc1ccccc1
InChIInChI=1S/C20H21NO/c1-2-17(22-18-11-4-3-5-12-18)15-21-20-14-8-10-16-9-6-7-13-19(16)20/h3-14,17,21H,2,15H2,1H3
InChIKeyLEWQXBHVZIDSAQ-UHFFFAOYSA-N
XLogP5.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.39
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-(2-phenoxybutyl)aniline
CID 54798251
2,4,5-trichloro-N-(2-phenoxybutyl)aniline
CID 54797577
N-[2-(4-methylphenoxy)propyl]naphthalen-1-amine
CID 54795940
2-chloro-N-[2-(3-methylphenoxy)butyl]aniline
CID 54796120
(2R)-N-naphthalen-1-yl-2-phenoxybutanamide
CID 904123
3-(2-ethoxyethoxy)-N-(2-phenoxybutyl)aniline
CID 54802089
N-naphthalen-1-yl-2-phenoxypropanamide
CID 2794096
2-methyl-3-(naphthalen-1-ylamino)propanenitrile
CID 43245410
2-(methylamino)-3-(naphthalen-1-ylamino)propanoic acid
CID 115255971
N-(2-phenoxybutyl)cyclopentanamine
CID 54798929
4-phenoxyhexanoic acid
CID 166708960
3-(naphthalen-1-ylamino)propane-1,2-diol
CID 3017963

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxybutyl)naphthalen-1-amine?
The IUPAC name of N-(2-phenoxybutyl)naphthalen-1-amine (CID 46736265) is N-(2-phenoxybutyl)naphthalen-1-amine.
What is the SMILES notation for N-(2-phenoxybutyl)naphthalen-1-amine?
The canonical SMILES for N-(2-phenoxybutyl)naphthalen-1-amine is CCC(CNc1cccc2ccccc12)Oc1ccccc1.
What is the InChIKey of N-(2-phenoxybutyl)naphthalen-1-amine?
The InChIKey is LEWQXBHVZIDSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO/c1-2-17(22-18-11-4-3-5-12-18)15-21-20-14-8-10-16-9-6-7-13-19(16)20/h3-14,17,21H,2,15H2,1H3.
What are the key properties of N-(2-phenoxybutyl)naphthalen-1-amine?
N-(2-phenoxybutyl)naphthalen-1-amine has a molecular weight of 291.39 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxybutyl)naphthalen-1-amine is sourced from PubChem (CID 46736265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).