(2,4-dichlorophenyl)-(5-methyloxolan-2-yl)methanamine

C12H15Cl2NO — CID 81331291

IUPAC(2,4-dichlorophenyl)-(5-methyloxolan-2-yl)methanamine
SMILESCC1CCC(C(N)c2ccc(Cl)cc2Cl)O1
InChIInChI=1S/C12H15Cl2NO/c1-7-2-5-11(16-7)12(15)9-4-3-8(13)6-10(9)14/h3-4,6-7,11-12H,2,5,15H2,1H3
InChIKeyPGUBWMADPADNNP-UHFFFAOYSA-N
MW260.16 g/mol
LogP3.56
Rot. Bonds2

About (2,4-dichlorophenyl)-(5-methyloxolan-2-yl)methanamine

(2,4-dichlorophenyl)-(5-methyloxolan-2-yl)methanamine (PubChem CID 81331291) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-(5-methyloxolan-2-yl)methanamine.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-(5-methyloxolan-2-yl)methanamine
PubChem CID81331291
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC Name(2,4-dichlorophenyl)-(5-methyloxolan-2-yl)methanamine
SMILESCC1CCC(C(N)c2ccc(Cl)cc2Cl)O1
InChIInChI=1S/C12H15Cl2NO/c1-7-2-5-11(16-7)12(15)9-4-3-8(13)6-10(9)14/h3-4,6-7,11-12H,2,5,15H2,1H3
InChIKeyPGUBWMADPADNNP-UHFFFAOYSA-N
XLogP3.56
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 ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chloro-5-fluorophenyl)-(5-methyloxolan-2-yl)methanamine
CID 105396850
(3-chlorophenyl)-(5-methyloxolan-2-yl)methanamine
CID 115811426
(R)-cyclopropyl-(2,4-dichlorophenyl)methanamine;hydrochloride
CID 171212549
(2-chlorothiophen-3-yl)-(5-methyloxolan-2-yl)methanamine
CID 126985799
[(2,5-dichlorophenyl)-(5-methyloxolan-2-yl)methyl]hydrazine
CID 105302085
(2,4-dichlorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 65156692
(R)-(2,4-dichlorophenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171250540
(4-chloro-3-methoxyphenyl)-(5-methyloxolan-2-yl)methanamine
CID 105006851
2-(3-chloro-4-fluorophenyl)-1-(5-methyloxolan-2-yl)ethanamine
CID 103043101
(2-fluoro-4,5-dimethoxyphenyl)-(5-methyloxolan-2-yl)methanamine
CID 81331181
2-(2,4-dichlorophenyl)-N-ethyl-1-(5-methyloxolan-2-yl)ethanamine
CID 115840073
2-[chloro-(2-chloro-4-methoxyphenyl)methyl]-5-methyloxolane
CID 81326929

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-(5-methyloxolan-2-yl)methanamine?
The IUPAC name of (2,4-dichlorophenyl)-(5-methyloxolan-2-yl)methanamine (CID 81331291) is (2,4-dichlorophenyl)-(5-methyloxolan-2-yl)methanamine.
What is the SMILES notation for (2,4-dichlorophenyl)-(5-methyloxolan-2-yl)methanamine?
The canonical SMILES for (2,4-dichlorophenyl)-(5-methyloxolan-2-yl)methanamine is CC1CCC(C(N)c2ccc(Cl)cc2Cl)O1.
What is the InChIKey of (2,4-dichlorophenyl)-(5-methyloxolan-2-yl)methanamine?
The InChIKey is PGUBWMADPADNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c1-7-2-5-11(16-7)12(15)9-4-3-8(13)6-10(9)14/h3-4,6-7,11-12H,2,5,15H2,1H3.
What are the key properties of (2,4-dichlorophenyl)-(5-methyloxolan-2-yl)methanamine?
(2,4-dichlorophenyl)-(5-methyloxolan-2-yl)methanamine has a molecular weight of 260.16 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-(5-methyloxolan-2-yl)methanamine is sourced from PubChem (CID 81331291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).