(2-amino-4-chlorophenyl)-(oxan-3-yl)methanone;hydrochloride

C12H15Cl2NO2 — CID 122164181

IUPAC(2-amino-4-chlorophenyl)-(oxan-3-yl)methanone;hydrochloride
SMILESCl.Nc1cc(Cl)ccc1C(=O)C1CCCOC1
InChIInChI=1S/C12H14ClNO2.ClH/c13-9-3-4-10(11(14)6-9)12(15)8-2-1-5-16-7-8;/h3-4,6,8H,1-2,5,7,14H2;1H
InChIKeyRSDUJGRZYZSBCW-UHFFFAOYSA-N
MW276.16 g/mol
LogP2.95
Rot. Bonds2

About (2-amino-4-chlorophenyl)-(oxan-3-yl)methanone;hydrochloride

(2-amino-4-chlorophenyl)-(oxan-3-yl)methanone;hydrochloride (PubChem CID 122164181) has the molecular formula C12H15Cl2NO2 and a molecular weight of 276.16 g/mol. Its IUPAC name is (2-amino-4-chlorophenyl)-(oxan-3-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(2-amino-4-chlorophenyl)-(oxan-3-yl)methanone;hydrochloride
PubChem CID122164181
Molecular FormulaC12H15Cl2NO2
Molecular Weight276.16 g/mol
Exact Mass275.05
IUPAC Name(2-amino-4-chlorophenyl)-(oxan-3-yl)methanone;hydrochloride
SMILESCl.Nc1cc(Cl)ccc1C(=O)C1CCCOC1
InChIInChI=1S/C12H14ClNO2.ClH/c13-9-3-4-10(11(14)6-9)12(15)8-2-1-5-16-7-8;/h3-4,6,8H,1-2,5,7,14H2;1H
InChIKeyRSDUJGRZYZSBCW-UHFFFAOYSA-N
XLogP2.95
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.16
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-4-chlorobenzophenone
CID 11183857
7-Chloro-2,3-di-hydrofuro[2,3-b]quinol-4-one
CID 129792592
(2-Amino-4-chlorophenyl)(4-chlorophenyl)methanone
CID 15918245
(2-Amino-5-fluorophenyl)-(oxan-3-yl)methanone
CID 105480365
(2-Amino-4-fluorophenyl)-(oxan-3-yl)methanone
CID 105480367
Bis(2-amino-4-chlorophenyl)methanone
CID 15130044
1-Propanone, 1-(2-amino-4-chlorophenyl)-2-methyl-
CID 64914205
1-(2-Amino-4-chlorophenyl)-2-phenylethanone
CID 64914609
(2-Amino-4-chlorophenyl)cyclopentylmethanone
CID 64915200
1-(2-Amino-4-chlorophenyl)-2-(oxan-4-yl)ethanone
CID 64915585
(2-Amino-4-chlorophenyl)(cyclohexyl)methanone
CID 64915975
(2-Amino-4-chlorophenyl)-cyclopropylmethanone
CID 64916176

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-chlorophenyl)-(oxan-3-yl)methanone;hydrochloride?
The IUPAC name of (2-amino-4-chlorophenyl)-(oxan-3-yl)methanone;hydrochloride (CID 122164181) is (2-amino-4-chlorophenyl)-(oxan-3-yl)methanone;hydrochloride.
What is the SMILES notation for (2-amino-4-chlorophenyl)-(oxan-3-yl)methanone;hydrochloride?
The canonical SMILES for (2-amino-4-chlorophenyl)-(oxan-3-yl)methanone;hydrochloride is Cl.Nc1cc(Cl)ccc1C(=O)C1CCCOC1.
What is the InChIKey of (2-amino-4-chlorophenyl)-(oxan-3-yl)methanone;hydrochloride?
The InChIKey is RSDUJGRZYZSBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2.ClH/c13-9-3-4-10(11(14)6-9)12(15)8-2-1-5-16-7-8;/h3-4,6,8H,1-2,5,7,14H2;1H.
What are the key properties of (2-amino-4-chlorophenyl)-(oxan-3-yl)methanone;hydrochloride?
(2-amino-4-chlorophenyl)-(oxan-3-yl)methanone;hydrochloride has a molecular weight of 276.16 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-chlorophenyl)-(oxan-3-yl)methanone;hydrochloride is sourced from PubChem (CID 122164181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).