4-naphthalen-2-yloxy-N-(2-phenylethyl)butan-1-amine

C22H25NO — CID 10064569

IUPAC4-naphthalen-2-yloxy-N-(2-phenylethyl)butan-1-amine
SMILESc1ccc(CCNCCCCOc2ccc3ccccc3c2)cc1
InChIInChI=1S/C22H25NO/c1-2-8-19(9-3-1)14-16-23-15-6-7-17-24-22-13-12-20-10-4-5-11-21(20)18-22/h1-5,8-13,18,23H,6-7,14-17H2
InChIKeyNWIPHDIXSAIAQD-UHFFFAOYSA-N
MW319.45 g/mol
LogP4.83
Rot. Bonds9

About 4-naphthalen-2-yloxy-N-(2-phenylethyl)butan-1-amine

4-naphthalen-2-yloxy-N-(2-phenylethyl)butan-1-amine (PubChem CID 10064569) has the molecular formula C22H25NO and a molecular weight of 319.45 g/mol. Its IUPAC name is 4-naphthalen-2-yloxy-N-(2-phenylethyl)butan-1-amine.

Molecular Properties

Compound Name4-naphthalen-2-yloxy-N-(2-phenylethyl)butan-1-amine
PubChem CID10064569
Molecular FormulaC22H25NO
Molecular Weight319.45 g/mol
Exact Mass319.19
IUPAC Name4-naphthalen-2-yloxy-N-(2-phenylethyl)butan-1-amine
SMILESc1ccc(CCNCCCCOc2ccc3ccccc3c2)cc1
InChIInChI=1S/C22H25NO/c1-2-8-19(9-3-1)14-16-23-15-6-7-17-24-22-13-12-20-10-4-5-11-21(20)18-22/h1-5,8-13,18,23H,6-7,14-17H2
InChIKeyNWIPHDIXSAIAQD-UHFFFAOYSA-N
XLogP4.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-phenylpropoxy)naphthalene
CID 13432986
N-(3-naphthalen-2-yloxypropyl)dodecan-1-amine
CID 10451764
3-(4-chlorophenoxy)-N-(2-phenylethyl)propan-1-amine
CID 82097635
N-(2-methylpropyl)-5-naphthalen-2-yloxypentan-1-amine
CID 63498763
4-(4-chlorophenoxy)-N-(2-phenylethyl)butan-1-amine;oxalic acid
CID 2935831
N-[2-(3,5-dibutoxyphenyl)ethyl]-2-phenylethanamine
CID 121299623
N-(3-naphthalen-2-ylpropyl)-3-phenylpropan-1-amine
CID 67834954
N-benzyl-10-(6-bromonaphthalen-2-yl)oxydecan-1-amine;hydrochloride
CID 10229043
N,N'-bis(2-phenylethyl)heptane-1,7-diamine;dihydrobromide
CID 3028511
N,N'-bis(2-phenylethyl)octane-1,8-diamine;dihydrobromide
CID 3029610
N-[2-(3-methylphenyl)ethyl]-3-phenoxypropan-1-amine
CID 62936442
6-(4-phenylbutoxy)naphthalene-2-carbaldehyde
CID 86087627

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-yloxy-N-(2-phenylethyl)butan-1-amine?
The IUPAC name of 4-naphthalen-2-yloxy-N-(2-phenylethyl)butan-1-amine (CID 10064569) is 4-naphthalen-2-yloxy-N-(2-phenylethyl)butan-1-amine.
What is the SMILES notation for 4-naphthalen-2-yloxy-N-(2-phenylethyl)butan-1-amine?
The canonical SMILES for 4-naphthalen-2-yloxy-N-(2-phenylethyl)butan-1-amine is c1ccc(CCNCCCCOc2ccc3ccccc3c2)cc1.
What is the InChIKey of 4-naphthalen-2-yloxy-N-(2-phenylethyl)butan-1-amine?
The InChIKey is NWIPHDIXSAIAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO/c1-2-8-19(9-3-1)14-16-23-15-6-7-17-24-22-13-12-20-10-4-5-11-21(20)18-22/h1-5,8-13,18,23H,6-7,14-17H2.
What are the key properties of 4-naphthalen-2-yloxy-N-(2-phenylethyl)butan-1-amine?
4-naphthalen-2-yloxy-N-(2-phenylethyl)butan-1-amine has a molecular weight of 319.45 g/mol, XLogP of 4.83, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-2-yloxy-N-(2-phenylethyl)butan-1-amine is sourced from PubChem (CID 10064569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).