(3,4-dichlorophenyl)-(oxan-4-yl)methanamine

C12H15Cl2NO — CID 62906187

IUPAC(3,4-dichlorophenyl)-(oxan-4-yl)methanamine
SMILESNC(c1ccc(Cl)c(Cl)c1)C1CCOCC1
InChIInChI=1S/C12H15Cl2NO/c13-10-2-1-9(7-11(10)14)12(15)8-3-5-16-6-4-8/h1-2,7-8,12H,3-6,15H2
InChIKeyXEWFOMYAVLFQGE-UHFFFAOYSA-N
MW260.16 g/mol
LogP3.42
Rot. Bonds2

About (3,4-dichlorophenyl)-(oxan-4-yl)methanamine

(3,4-dichlorophenyl)-(oxan-4-yl)methanamine (PubChem CID 62906187) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-(oxan-4-yl)methanamine.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-(oxan-4-yl)methanamine
PubChem CID62906187
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC Name(3,4-dichlorophenyl)-(oxan-4-yl)methanamine
SMILESNC(c1ccc(Cl)c(Cl)c1)C1CCOCC1
InChIInChI=1S/C12H15Cl2NO/c13-10-2-1-9(7-11(10)14)12(15)8-3-5-16-6-4-8/h1-2,7-8,12H,3-6,15H2
InChIKeyXEWFOMYAVLFQGE-UHFFFAOYSA-N
XLogP3.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-dichlorophenyl)-(oxolan-3-yl)methanamine
CID 61273204
(3-chloro-4-iodophenyl)-(oxan-4-yl)methanamine
CID 103215273
(S)-(4-chloro-3-fluorophenyl)-(oxan-4-yl)methanamine
CID 131292483
(R)-(3-chloro-4-fluorophenyl)-(oxan-4-yl)methanamine
CID 131491152
(S)-(3-chlorophenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171239392
(R)-(3,4-dichlorophenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314201
(R)-(3,5-dichlorophenyl)-(oxan-4-yl)methanamine
CID 131424758
(S)-(3,4-dimethylphenyl)-(oxan-4-yl)methanamine
CID 94891825
(3,4-dichlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 81492336
(R)-naphthalen-2-yl(oxan-4-yl)methanamine
CID 171246771
(R)-naphthalen-2-yl(oxan-4-yl)methanamine;hydrochloride
CID 171246772
(3-chloro-4-methoxyphenyl)-(oxolan-3-yl)methanamine
CID 61270663

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-(oxan-4-yl)methanamine?
The IUPAC name of (3,4-dichlorophenyl)-(oxan-4-yl)methanamine (CID 62906187) is (3,4-dichlorophenyl)-(oxan-4-yl)methanamine.
What is the SMILES notation for (3,4-dichlorophenyl)-(oxan-4-yl)methanamine?
The canonical SMILES for (3,4-dichlorophenyl)-(oxan-4-yl)methanamine is NC(c1ccc(Cl)c(Cl)c1)C1CCOCC1.
What is the InChIKey of (3,4-dichlorophenyl)-(oxan-4-yl)methanamine?
The InChIKey is XEWFOMYAVLFQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c13-10-2-1-9(7-11(10)14)12(15)8-3-5-16-6-4-8/h1-2,7-8,12H,3-6,15H2.
What are the key properties of (3,4-dichlorophenyl)-(oxan-4-yl)methanamine?
(3,4-dichlorophenyl)-(oxan-4-yl)methanamine has a molecular weight of 260.16 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-(oxan-4-yl)methanamine is sourced from PubChem (CID 62906187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).