(4-aminooxan-4-yl)-(2,5-dichlorophenyl)methanone

C12H13Cl2NO2 — CID 116604624

IUPAC(4-aminooxan-4-yl)-(2,5-dichlorophenyl)methanone
SMILESNC1(C(=O)c2cc(Cl)ccc2Cl)CCOCC1
InChIInChI=1S/C12H13Cl2NO2/c13-8-1-2-10(14)9(7-8)11(16)12(15)3-5-17-6-4-12/h1-2,7H,3-6,15H2
InChIKeyGEGZEYCEOKPEED-UHFFFAOYSA-N
MW274.15 g/mol
LogP2.68
Rot. Bonds2

About (4-aminooxan-4-yl)-(2,5-dichlorophenyl)methanone

(4-aminooxan-4-yl)-(2,5-dichlorophenyl)methanone (PubChem CID 116604624) has the molecular formula C12H13Cl2NO2 and a molecular weight of 274.15 g/mol. Its IUPAC name is (4-aminooxan-4-yl)-(2,5-dichlorophenyl)methanone.

Molecular Properties

Compound Name(4-aminooxan-4-yl)-(2,5-dichlorophenyl)methanone
PubChem CID116604624
Molecular FormulaC12H13Cl2NO2
Molecular Weight274.15 g/mol
Exact Mass273.03
IUPAC Name(4-aminooxan-4-yl)-(2,5-dichlorophenyl)methanone
SMILESNC1(C(=O)c2cc(Cl)ccc2Cl)CCOCC1
InChIInChI=1S/C12H13Cl2NO2/c13-8-1-2-10(14)9(7-8)11(16)12(15)3-5-17-6-4-12/h1-2,7H,3-6,15H2
InChIKeyGEGZEYCEOKPEED-UHFFFAOYSA-N
XLogP2.68
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.15
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-aminocyclohexyl)-(2,5-dichlorophenyl)methanone
CID 116550512
(4-aminooxan-4-yl)-(2-fluoro-5-methylphenyl)methanone
CID 116604587
2-[(4-aminooxane-4-carbonyl)amino]-4-chlorobenzoic acid
CID 115294490
2,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 71989539
3-amino-N-(2,4-dichlorophenyl)oxolane-3-carboxamide
CID 64892685
(1-aminocyclobutyl)-(2-chloro-5-methylphenyl)methanone
CID 130631204
(1-aminocyclohexyl)-(5-chloro-2-methoxyphenyl)methanone
CID 116550581
(4-aminooxan-4-yl)-(4-methoxy-2-methylphenyl)methanone
CID 116604665
(1-aminocyclopropyl)-(2-chlorophenyl)methanone
CID 116576455
4-(2,5-dichlorophenyl)oxan-4-ol
CID 63220164
(4-aminooxan-4-yl)-(3,4-dimethylphenyl)methanone
CID 116604621
1-(2,5-dichlorophenyl)-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]ethanone
CID 114950486

Frequently Asked Questions

What is the IUPAC name of (4-aminooxan-4-yl)-(2,5-dichlorophenyl)methanone?
The IUPAC name of (4-aminooxan-4-yl)-(2,5-dichlorophenyl)methanone (CID 116604624) is (4-aminooxan-4-yl)-(2,5-dichlorophenyl)methanone.
What is the SMILES notation for (4-aminooxan-4-yl)-(2,5-dichlorophenyl)methanone?
The canonical SMILES for (4-aminooxan-4-yl)-(2,5-dichlorophenyl)methanone is NC1(C(=O)c2cc(Cl)ccc2Cl)CCOCC1.
What is the InChIKey of (4-aminooxan-4-yl)-(2,5-dichlorophenyl)methanone?
The InChIKey is GEGZEYCEOKPEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO2/c13-8-1-2-10(14)9(7-8)11(16)12(15)3-5-17-6-4-12/h1-2,7H,3-6,15H2.
What are the key properties of (4-aminooxan-4-yl)-(2,5-dichlorophenyl)methanone?
(4-aminooxan-4-yl)-(2,5-dichlorophenyl)methanone has a molecular weight of 274.15 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminooxan-4-yl)-(2,5-dichlorophenyl)methanone is sourced from PubChem (CID 116604624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).