(2,3-dichlorophenyl)-(2-methyloxolan-3-yl)methanamine

C12H15Cl2NO — CID 115851414

IUPAC(2,3-dichlorophenyl)-(2-methyloxolan-3-yl)methanamine
SMILESCC1OCCC1C(N)c1cccc(Cl)c1Cl
InChIInChI=1S/C12H15Cl2NO/c1-7-8(5-6-16-7)12(15)9-3-2-4-10(13)11(9)14/h2-4,7-8,12H,5-6,15H2,1H3
InChIKeyBPZUHPBWZUIQMP-UHFFFAOYSA-N
MW260.16 g/mol
LogP3.42
Rot. Bonds2

About (2,3-dichlorophenyl)-(2-methyloxolan-3-yl)methanamine

(2,3-dichlorophenyl)-(2-methyloxolan-3-yl)methanamine (PubChem CID 115851414) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-(2-methyloxolan-3-yl)methanamine.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-(2-methyloxolan-3-yl)methanamine
PubChem CID115851414
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC Name(2,3-dichlorophenyl)-(2-methyloxolan-3-yl)methanamine
SMILESCC1OCCC1C(N)c1cccc(Cl)c1Cl
InChIInChI=1S/C12H15Cl2NO/c1-7-8(5-6-16-7)12(15)9-3-2-4-10(13)11(9)14/h2-4,7-8,12H,5-6,15H2,1H3
InChIKeyBPZUHPBWZUIQMP-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

(2-chlorophenyl)-(2-methyloxolan-3-yl)methanamine
CID 115801573
(2,3-dichlorophenyl)-(2-methyloxolan-3-yl)methanol
CID 115792974
N-[(2,3-dichlorophenyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine
CID 115851413
(2-chloro-5-fluorophenyl)-(2-methyloxolan-3-yl)methanamine
CID 105397164
cyclopropyl-(2,3-dichlorophenyl)methanamine
CID 62789310
(2-methyloxolan-3-yl)-(2,3,4-trifluorophenyl)methanamine
CID 115855316
(2,3-dichlorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 105141855
(2-methyloxolan-3-yl)-(4-methyl-3-pyridinyl)methanamine
CID 105006588
(2,3-dichlorophenyl)-(3-methyloxolan-2-yl)methanol
CID 115793140
[2-(2,6-dichlorophenyl)-1-(2-methyloxolan-3-yl)ethyl]hydrazine
CID 105293114
(2-chlorophenyl)-(3-methyloxolan-2-yl)methanamine
CID 115801779
(2,3-dichlorophenyl)-(4-propan-2-ylmorpholin-2-yl)methanamine
CID 79665565

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-(2-methyloxolan-3-yl)methanamine?
The IUPAC name of (2,3-dichlorophenyl)-(2-methyloxolan-3-yl)methanamine (CID 115851414) is (2,3-dichlorophenyl)-(2-methyloxolan-3-yl)methanamine.
What is the SMILES notation for (2,3-dichlorophenyl)-(2-methyloxolan-3-yl)methanamine?
The canonical SMILES for (2,3-dichlorophenyl)-(2-methyloxolan-3-yl)methanamine is CC1OCCC1C(N)c1cccc(Cl)c1Cl.
What is the InChIKey of (2,3-dichlorophenyl)-(2-methyloxolan-3-yl)methanamine?
The InChIKey is BPZUHPBWZUIQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c1-7-8(5-6-16-7)12(15)9-3-2-4-10(13)11(9)14/h2-4,7-8,12H,5-6,15H2,1H3.
What are the key properties of (2,3-dichlorophenyl)-(2-methyloxolan-3-yl)methanamine?
(2,3-dichlorophenyl)-(2-methyloxolan-3-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 (2,3-dichlorophenyl)-(2-methyloxolan-3-yl)methanamine is sourced from PubChem (CID 115851414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).