(2-amino-5-fluorophenyl)-naphthalen-1-ylmethanol

C17H14FNO — CID 82685874

IUPAC(2-amino-5-fluorophenyl)-naphthalen-1-ylmethanol
SMILESNc1ccc(F)cc1C(O)c1cccc2ccccc12
InChIInChI=1S/C17H14FNO/c18-12-8-9-16(19)15(10-12)17(20)14-7-3-5-11-4-1-2-6-13(11)14/h1-10,17,20H,19H2
InChIKeyYPEDOHQLXVMZSQ-UHFFFAOYSA-N
MW267.30 g/mol
LogP3.64
Rot. Bonds2

About (2-amino-5-fluorophenyl)-naphthalen-1-ylmethanol

(2-amino-5-fluorophenyl)-naphthalen-1-ylmethanol (PubChem CID 82685874) has the molecular formula C17H14FNO and a molecular weight of 267.30 g/mol. Its IUPAC name is (2-amino-5-fluorophenyl)-naphthalen-1-ylmethanol.

Molecular Properties

Compound Name(2-amino-5-fluorophenyl)-naphthalen-1-ylmethanol
PubChem CID82685874
Molecular FormulaC17H14FNO
Molecular Weight267.30 g/mol
Exact Mass267.11
IUPAC Name(2-amino-5-fluorophenyl)-naphthalen-1-ylmethanol
SMILESNc1ccc(F)cc1C(O)c1cccc2ccccc12
InChIInChI=1S/C17H14FNO/c18-12-8-9-16(19)15(10-12)17(20)14-7-3-5-11-4-1-2-6-13(11)14/h1-10,17,20H,19H2
InChIKeyYPEDOHQLXVMZSQ-UHFFFAOYSA-N
XLogP3.64
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Aminobenzhydrol
CID 270810
6-Aminochrysene-1,2-dihydrodiol
CID 107900
1-(2-Aminophenyl)-1,2-diphenylethanol
CID 2803358
3-anthracen-9-yl-N'-(4-fluorophenyl)-3-hydroxypropanimidamide;hydrochloride
CID 168299017
N'-(4-fluorophenyl)-3-hydroxy-3-phenanthren-9-ylpropanimidamide
CID 168299607
(3-Aminonaphthalen-2-yl)methanol
CID 10374898
(4-Aminonaphthalen-1-yl)methanol
CID 118807838
(2-Aminophenyl)(diphenyl)methanol
CID 2749076
1,2-Dihydro-1,2-dihydroxy-6-aminochrysene
CID 3025891
(2-Amino-5-methylphenyl)(phenyl)methanol
CID 2861941
(3-Aminonaphthalen-2-yl)-diphenylmethanol
CID 10041997
2-(2-Aminophenyl)-1-phenylethanol
CID 10353165

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-fluorophenyl)-naphthalen-1-ylmethanol?
The IUPAC name of (2-amino-5-fluorophenyl)-naphthalen-1-ylmethanol (CID 82685874) is (2-amino-5-fluorophenyl)-naphthalen-1-ylmethanol.
What is the SMILES notation for (2-amino-5-fluorophenyl)-naphthalen-1-ylmethanol?
The canonical SMILES for (2-amino-5-fluorophenyl)-naphthalen-1-ylmethanol is Nc1ccc(F)cc1C(O)c1cccc2ccccc12.
What is the InChIKey of (2-amino-5-fluorophenyl)-naphthalen-1-ylmethanol?
The InChIKey is YPEDOHQLXVMZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO/c18-12-8-9-16(19)15(10-12)17(20)14-7-3-5-11-4-1-2-6-13(11)14/h1-10,17,20H,19H2.
What are the key properties of (2-amino-5-fluorophenyl)-naphthalen-1-ylmethanol?
(2-amino-5-fluorophenyl)-naphthalen-1-ylmethanol has a molecular weight of 267.30 g/mol, XLogP of 3.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-fluorophenyl)-naphthalen-1-ylmethanol is sourced from PubChem (CID 82685874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).