N-(1-naphthalen-1-ylethoxy)-1-phenylpentan-1-amine

C23H27NO — CID 10830497

IUPACN-(1-naphthalen-1-ylethoxy)-1-phenylpentan-1-amine
SMILESCCCCC(NOC(C)c1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C23H27NO/c1-3-4-17-23(20-12-6-5-7-13-20)24-25-18(2)21-16-10-14-19-11-8-9-15-22(19)21/h5-16,18,23-24H,3-4,17H2,1-2H3
InChIKeyXRDLCTRBJFBZNK-UHFFFAOYSA-N
MW333.48 g/mol
LogP6.35
Rot. Bonds8

About N-(1-naphthalen-1-ylethoxy)-1-phenylpentan-1-amine

N-(1-naphthalen-1-ylethoxy)-1-phenylpentan-1-amine (PubChem CID 10830497) has the molecular formula C23H27NO and a molecular weight of 333.48 g/mol. Its IUPAC name is N-(1-naphthalen-1-ylethoxy)-1-phenylpentan-1-amine.

Molecular Properties

Compound NameN-(1-naphthalen-1-ylethoxy)-1-phenylpentan-1-amine
PubChem CID10830497
Molecular FormulaC23H27NO
Molecular Weight333.48 g/mol
Exact Mass333.21
IUPAC NameN-(1-naphthalen-1-ylethoxy)-1-phenylpentan-1-amine
SMILESCCCCC(NOC(C)c1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C23H27NO/c1-3-4-17-23(20-12-6-5-7-13-20)24-25-18(2)21-16-10-14-19-11-8-9-15-22(19)21/h5-16,18,23-24H,3-4,17H2,1-2H3
InChIKeyXRDLCTRBJFBZNK-UHFFFAOYSA-N
XLogP6.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.48
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3,5-Dimethyl-benzyloxymethyl)-2-naphthalen-2-yl-ethylamine
CID 19003143
(2S)-1-[(3,5-dimethylphenyl)methoxy]-3-naphthalen-2-ylpropan-2-amine
CID 44346550
1-(3,5-Dimethyl-benzyloxymethyl)-2-naphthalen-1-yl-ethylamine
CID 19003165
2-methyl-1-phenyl-N-(1-phenylethoxy)propan-1-amine
CID 15261432
1-phenyl-N-(1-phenylethoxy)pentan-1-amine
CID 15261429
2,2-dimethyl-1-phenyl-N-(1-phenylethoxy)propan-1-amine
CID 15261430
1-phenyl-N-(1-phenylethoxy)but-3-en-1-amine
CID 15261431
N-Benzoxybenzhydrylamine
CID 15025165
N-Benzoxy-2-naphthalenemethanamine
CID 53308533
N-Benzoxy-1-naphthalenemethanamine
CID 53308547
2-Amino-2-(4-fluorophenyl)-1-naphthalen-1-ylethanol
CID 67523990
(1R,2S)-2-amino-2-(4-fluorophenyl)-1-naphthalen-2-ylethanol
CID 168162189

Frequently Asked Questions

What is the IUPAC name of N-(1-naphthalen-1-ylethoxy)-1-phenylpentan-1-amine?
The IUPAC name of N-(1-naphthalen-1-ylethoxy)-1-phenylpentan-1-amine (CID 10830497) is N-(1-naphthalen-1-ylethoxy)-1-phenylpentan-1-amine.
What is the SMILES notation for N-(1-naphthalen-1-ylethoxy)-1-phenylpentan-1-amine?
The canonical SMILES for N-(1-naphthalen-1-ylethoxy)-1-phenylpentan-1-amine is CCCCC(NOC(C)c1cccc2ccccc12)c1ccccc1.
What is the InChIKey of N-(1-naphthalen-1-ylethoxy)-1-phenylpentan-1-amine?
The InChIKey is XRDLCTRBJFBZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO/c1-3-4-17-23(20-12-6-5-7-13-20)24-25-18(2)21-16-10-14-19-11-8-9-15-22(19)21/h5-16,18,23-24H,3-4,17H2,1-2H3.
What are the key properties of N-(1-naphthalen-1-ylethoxy)-1-phenylpentan-1-amine?
N-(1-naphthalen-1-ylethoxy)-1-phenylpentan-1-amine has a molecular weight of 333.48 g/mol, XLogP of 6.35, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-naphthalen-1-ylethoxy)-1-phenylpentan-1-amine is sourced from PubChem (CID 10830497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).