(2,4-dichlorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanamine

C14H19Cl2NO — CID 65156692

IUPAC(2,4-dichlorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanamine
SMILESCC1OC(C)C(C(N)c2ccc(Cl)cc2Cl)C1C
InChIInChI=1S/C14H19Cl2NO/c1-7-8(2)18-9(3)13(7)14(17)11-5-4-10(15)6-12(11)16/h4-9,13-14H,17H2,1-3H3
InChIKeyGAVSONQIDDGTTB-UHFFFAOYSA-N
MW288.22 g/mol
LogP4.05
Rot. Bonds2

About (2,4-dichlorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanamine

(2,4-dichlorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanamine (PubChem CID 65156692) has the molecular formula C14H19Cl2NO and a molecular weight of 288.22 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanamine.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanamine
PubChem CID65156692
Molecular FormulaC14H19Cl2NO
Molecular Weight288.22 g/mol
Exact Mass287.08
IUPAC Name(2,4-dichlorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanamine
SMILESCC1OC(C)C(C(N)c2ccc(Cl)cc2Cl)C1C
InChIInChI=1S/C14H19Cl2NO/c1-7-8(2)18-9(3)13(7)14(17)11-5-4-10(15)6-12(11)16/h4-9,13-14H,17H2,1-3H3
InChIKeyGAVSONQIDDGTTB-UHFFFAOYSA-N
XLogP4.05
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-dichlorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanol
CID 65157693
(4-chloro-2-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanol
CID 115827775
(2,4-dichlorophenyl)-(5-methyloxolan-2-yl)methanamine
CID 81331291
(4-bromo-3-chloro-2-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 106764925
(R)-cyclopropyl-(2,4-dichlorophenyl)methanamine;hydrochloride
CID 171212549
(1S)-1-(2,4-dichlorophenyl)ethanamine
CID 2496562
2-(2,5-dichlorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
CID 115862951
[(5-chloro-2-methoxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]hydrazine
CID 105300931
3-[bromo-(5-chloro-2-methoxyphenyl)methyl]-2,4,5-trimethyloxolane
CID 104546511
(5-chloro-4-methylthiophen-2-yl)-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 102763547
(R)-(2,4-dichlorophenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171250540
1-(2,4-dichlorophenyl)ethanamine;ethane
CID 142953133

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanamine?
The IUPAC name of (2,4-dichlorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanamine (CID 65156692) is (2,4-dichlorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanamine.
What is the SMILES notation for (2,4-dichlorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanamine?
The canonical SMILES for (2,4-dichlorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanamine is CC1OC(C)C(C(N)c2ccc(Cl)cc2Cl)C1C.
What is the InChIKey of (2,4-dichlorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanamine?
The InChIKey is GAVSONQIDDGTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO/c1-7-8(2)18-9(3)13(7)14(17)11-5-4-10(15)6-12(11)16/h4-9,13-14H,17H2,1-3H3.
What are the key properties of (2,4-dichlorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanamine?
(2,4-dichlorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanamine has a molecular weight of 288.22 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanamine is sourced from PubChem (CID 65156692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).