5-naphthalen-2-yl-N-phenylmethoxypentan-1-amine

C22H25NO — CID 139889984

IUPAC5-naphthalen-2-yl-N-phenylmethoxypentan-1-amine
SMILESc1ccc(CONCCCCCc2ccc3ccccc3c2)cc1
InChIInChI=1S/C22H25NO/c1-3-10-20(11-4-1)18-24-23-16-8-2-5-9-19-14-15-21-12-6-7-13-22(21)17-19/h1,3-4,6-7,10-15,17,23H,2,5,8-9,16,18H2
InChIKeyNZKVUDSIWIAAGC-UHFFFAOYSA-N
MW319.45 g/mol
LogP5.27
Rot. Bonds9

About 5-naphthalen-2-yl-N-phenylmethoxypentan-1-amine

5-naphthalen-2-yl-N-phenylmethoxypentan-1-amine (PubChem CID 139889984) has the molecular formula C22H25NO and a molecular weight of 319.45 g/mol. Its IUPAC name is 5-naphthalen-2-yl-N-phenylmethoxypentan-1-amine.

Molecular Properties

Compound Name5-naphthalen-2-yl-N-phenylmethoxypentan-1-amine
PubChem CID139889984
Molecular FormulaC22H25NO
Molecular Weight319.45 g/mol
Exact Mass319.19
IUPAC Name5-naphthalen-2-yl-N-phenylmethoxypentan-1-amine
SMILESc1ccc(CONCCCCCc2ccc3ccccc3c2)cc1
InChIInChI=1S/C22H25NO/c1-3-10-20(11-4-1)18-24-23-16-8-2-5-9-19-14-15-21-12-6-7-13-22(21)17-19/h1,3-4,6-7,10-15,17,23H,2,5,8-9,16,18H2
InChIKeyNZKVUDSIWIAAGC-UHFFFAOYSA-N
XLogP5.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.45
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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
[2-[3-(Methylamino)-2-naphthalen-2-ylpropyl]phenyl]methanol
CID 86288291
(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
(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
O-(anthrylmethyl)hydroxylamine
CID 14420766
O-(2-anthrylmethyl) hydroxylamine
CID 14420768
2-Naphthaldehyde-O-benzyloxime
CID 52551221
N-Benzoxy-2-naphthalenemethanamine
CID 53308533

Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-2-yl-N-phenylmethoxypentan-1-amine?
The IUPAC name of 5-naphthalen-2-yl-N-phenylmethoxypentan-1-amine (CID 139889984) is 5-naphthalen-2-yl-N-phenylmethoxypentan-1-amine.
What is the SMILES notation for 5-naphthalen-2-yl-N-phenylmethoxypentan-1-amine?
The canonical SMILES for 5-naphthalen-2-yl-N-phenylmethoxypentan-1-amine is c1ccc(CONCCCCCc2ccc3ccccc3c2)cc1.
What is the InChIKey of 5-naphthalen-2-yl-N-phenylmethoxypentan-1-amine?
The InChIKey is NZKVUDSIWIAAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO/c1-3-10-20(11-4-1)18-24-23-16-8-2-5-9-19-14-15-21-12-6-7-13-22(21)17-19/h1,3-4,6-7,10-15,17,23H,2,5,8-9,16,18H2.
What are the key properties of 5-naphthalen-2-yl-N-phenylmethoxypentan-1-amine?
5-naphthalen-2-yl-N-phenylmethoxypentan-1-amine has a molecular weight of 319.45 g/mol, XLogP of 5.27, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-2-yl-N-phenylmethoxypentan-1-amine is sourced from PubChem (CID 139889984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).