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

C11H13Cl2NO — CID 61273204

IUPAC(3,4-dichlorophenyl)-(oxolan-3-yl)methanamine
SMILESNC(c1ccc(Cl)c(Cl)c1)C1CCOC1
InChIInChI=1S/C11H13Cl2NO/c12-9-2-1-7(5-10(9)13)11(14)8-3-4-15-6-8/h1-2,5,8,11H,3-4,6,14H2
InChIKeyVVHWJHDEJSDZCC-UHFFFAOYSA-N
MW246.14 g/mol
LogP3.03
Rot. Bonds2

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

(3,4-dichlorophenyl)-(oxolan-3-yl)methanamine (PubChem CID 61273204) has the molecular formula C11H13Cl2NO and a molecular weight of 246.14 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-(oxolan-3-yl)methanamine.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-(oxolan-3-yl)methanamine
PubChem CID61273204
Molecular FormulaC11H13Cl2NO
Molecular Weight246.14 g/mol
Exact Mass245.04
IUPAC Name(3,4-dichlorophenyl)-(oxolan-3-yl)methanamine
SMILESNC(c1ccc(Cl)c(Cl)c1)C1CCOC1
InChIInChI=1S/C11H13Cl2NO/c12-9-2-1-7(5-10(9)13)11(14)8-3-4-15-6-8/h1-2,5,8,11H,3-4,6,14H2
InChIKeyVVHWJHDEJSDZCC-UHFFFAOYSA-N
XLogP3.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.14
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-dichlorophenyl)-(oxan-4-yl)methanamine
CID 62906187
(3-chloro-4-methoxyphenyl)-(oxolan-3-yl)methanamine
CID 61270663
(4-chloro-3-fluorophenyl)-(oxan-3-yl)methanamine
CID 107996101
(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
(3,4-dichlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 81492336
(5-chloro-3-pyridinyl)-(oxolan-3-yl)methanamine
CID 131115157
(4-methylphenyl)-(oxolan-3-yl)methanamine
CID 61271786
(3,4-dimethoxyphenyl)-(oxolan-3-yl)methanamine
CID 61271784
N-[(3,4-dichlorophenyl)-(oxolan-3-yl)methyl]ethanamine
CID 61276509
(3-methylphenyl)-(oxolan-3-yl)methanamine
CID 63564750

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-(oxolan-3-yl)methanamine?
The IUPAC name of (3,4-dichlorophenyl)-(oxolan-3-yl)methanamine (CID 61273204) is (3,4-dichlorophenyl)-(oxolan-3-yl)methanamine.
What is the SMILES notation for (3,4-dichlorophenyl)-(oxolan-3-yl)methanamine?
The canonical SMILES for (3,4-dichlorophenyl)-(oxolan-3-yl)methanamine is NC(c1ccc(Cl)c(Cl)c1)C1CCOC1.
What is the InChIKey of (3,4-dichlorophenyl)-(oxolan-3-yl)methanamine?
The InChIKey is VVHWJHDEJSDZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO/c12-9-2-1-7(5-10(9)13)11(14)8-3-4-15-6-8/h1-2,5,8,11H,3-4,6,14H2.
What are the key properties of (3,4-dichlorophenyl)-(oxolan-3-yl)methanamine?
(3,4-dichlorophenyl)-(oxolan-3-yl)methanamine has a molecular weight of 246.14 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-(oxolan-3-yl)methanamine is sourced from PubChem (CID 61273204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).