1-naphthalen-2-yl-N-[(1S)-1-phenylbutoxy]pentan-1-amine

C25H31NO — CID 101004926

IUPAC1-naphthalen-2-yl-N-[(1S)-1-phenylbutoxy]pentan-1-amine
SMILESCCCCC(NO[C@@H](CCC)c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C25H31NO/c1-3-5-16-24(23-18-17-20-12-9-10-15-22(20)19-23)26-27-25(11-4-2)21-13-7-6-8-14-21/h6-10,12-15,17-19,24-26H,3-5,11,16H2,1-2H3/t24?,25-/m0/s1
InChIKeyCPMDJVZVQGJFKY-BBMPLOMVSA-N
MW361.53 g/mol
LogP7.13
Rot. Bonds10

About 1-naphthalen-2-yl-N-[(1S)-1-phenylbutoxy]pentan-1-amine

1-naphthalen-2-yl-N-[(1S)-1-phenylbutoxy]pentan-1-amine (PubChem CID 101004926) has the molecular formula C25H31NO and a molecular weight of 361.53 g/mol. Its IUPAC name is 1-naphthalen-2-yl-N-[(1S)-1-phenylbutoxy]pentan-1-amine.

Molecular Properties

Compound Name1-naphthalen-2-yl-N-[(1S)-1-phenylbutoxy]pentan-1-amine
PubChem CID101004926
Molecular FormulaC25H31NO
Molecular Weight361.53 g/mol
Exact Mass361.24
IUPAC Name1-naphthalen-2-yl-N-[(1S)-1-phenylbutoxy]pentan-1-amine
SMILESCCCCC(NO[C@@H](CCC)c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C25H31NO/c1-3-5-16-24(23-18-17-20-12-9-10-15-22(20)19-23)26-27-25(11-4-2)21-13-7-6-8-14-21/h6-10,12-15,17-19,24-26H,3-5,11,16H2,1-2H3/t24?,25-/m0/s1
InChIKeyCPMDJVZVQGJFKY-BBMPLOMVSA-N
XLogP7.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.53
LogP ≤ 57.13
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

(1R,2R)-3-amino-2-naphthalen-2-yl-1-phenylpropan-1-ol;hydrochloride
CID 45265255
1-(3,5-Dimethyl-benzyloxymethyl)-2-naphthalen-2-yl-ethylamine
CID 19003143
(1R,2R)-3-Amino-2-naphthalen-2-yl-1-phenyl-propan-1-ol; hydrochloride
CID 10107559
(2S)-1-[(3,5-dimethylphenyl)methoxy]-3-naphthalen-2-ylpropan-2-amine
CID 44346550
(1R)-3-amino-2-naphthalen-2-yl-1-phenylpropan-1-ol
CID 69454235
2-Amino-1-(phenanthren-2-yl)ethan-1-ol--hydrogen chloride (1/1)
CID 113857
2-methyl-1-phenyl-N-(1-phenylethoxy)propan-1-amine
CID 15261432
1-phenyl-N-(1-phenylethoxy)pentan-1-amine
CID 15261429
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

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-yl-N-[(1S)-1-phenylbutoxy]pentan-1-amine?
The IUPAC name of 1-naphthalen-2-yl-N-[(1S)-1-phenylbutoxy]pentan-1-amine (CID 101004926) is 1-naphthalen-2-yl-N-[(1S)-1-phenylbutoxy]pentan-1-amine.
What is the SMILES notation for 1-naphthalen-2-yl-N-[(1S)-1-phenylbutoxy]pentan-1-amine?
The canonical SMILES for 1-naphthalen-2-yl-N-[(1S)-1-phenylbutoxy]pentan-1-amine is CCCCC(NO[C@@H](CCC)c1ccccc1)c1ccc2ccccc2c1.
What is the InChIKey of 1-naphthalen-2-yl-N-[(1S)-1-phenylbutoxy]pentan-1-amine?
The InChIKey is CPMDJVZVQGJFKY-BBMPLOMVSA-N. The full InChI is InChI=1S/C25H31NO/c1-3-5-16-24(23-18-17-20-12-9-10-15-22(20)19-23)26-27-25(11-4-2)21-13-7-6-8-14-21/h6-10,12-15,17-19,24-26H,3-5,11,16H2,1-2H3/t24?,25-/m0/s1.
What are the key properties of 1-naphthalen-2-yl-N-[(1S)-1-phenylbutoxy]pentan-1-amine?
1-naphthalen-2-yl-N-[(1S)-1-phenylbutoxy]pentan-1-amine has a molecular weight of 361.53 g/mol, XLogP of 7.13, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-yl-N-[(1S)-1-phenylbutoxy]pentan-1-amine is sourced from PubChem (CID 101004926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).