2-(naphthalen-1-ylamino)-1-phenylethanol

C18H17NO — CID 21409696

IUPAC2-(naphthalen-1-ylamino)-1-phenylethanol
SMILESOC(CNc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C18H17NO/c20-18(15-8-2-1-3-9-15)13-19-17-12-6-10-14-7-4-5-11-16(14)17/h1-12,18-20H,13H2
InChIKeyPNHSUAZXHHYZHQ-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.99
Rot. Bonds4

About 2-(naphthalen-1-ylamino)-1-phenylethanol

2-(naphthalen-1-ylamino)-1-phenylethanol (PubChem CID 21409696) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(naphthalen-1-ylamino)-1-phenylethanol.

Molecular Properties

Compound Name2-(naphthalen-1-ylamino)-1-phenylethanol
PubChem CID21409696
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name2-(naphthalen-1-ylamino)-1-phenylethanol
SMILESOC(CNc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C18H17NO/c20-18(15-8-2-1-3-9-15)13-19-17-12-6-10-14-7-4-5-11-16(14)17/h1-12,18-20H,13H2
InChIKeyPNHSUAZXHHYZHQ-UHFFFAOYSA-N
XLogP3.99
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-1-ylamino)-1-phenylethanol?
The IUPAC name of 2-(naphthalen-1-ylamino)-1-phenylethanol (CID 21409696) is 2-(naphthalen-1-ylamino)-1-phenylethanol.
What is the SMILES notation for 2-(naphthalen-1-ylamino)-1-phenylethanol?
The canonical SMILES for 2-(naphthalen-1-ylamino)-1-phenylethanol is OC(CNc1cccc2ccccc12)c1ccccc1.
What is the InChIKey of 2-(naphthalen-1-ylamino)-1-phenylethanol?
The InChIKey is PNHSUAZXHHYZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c20-18(15-8-2-1-3-9-15)13-19-17-12-6-10-14-7-4-5-11-16(14)17/h1-12,18-20H,13H2.
What are the key properties of 2-(naphthalen-1-ylamino)-1-phenylethanol?
2-(naphthalen-1-ylamino)-1-phenylethanol has a molecular weight of 263.34 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-1-ylamino)-1-phenylethanol is sourced from PubChem (CID 21409696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).