3-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N,2-dimethyloxolan-3-amine

C15H23ClN2O — CID 82718464

IUPAC3-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N,2-dimethyloxolan-3-amine
SMILESCC(c1ccccc1Cl)N(C)C1(CN)CCOC1C
InChIInChI=1S/C15H23ClN2O/c1-11(13-6-4-5-7-14(13)16)18(3)15(10-17)8-9-19-12(15)2/h4-7,11-12H,8-10,17H2,1-3H3
InChIKeyUXWLRYUEZLQHOH-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.84
Rot. Bonds4

About 3-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N,2-dimethyloxolan-3-amine

3-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N,2-dimethyloxolan-3-amine (PubChem CID 82718464) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N,2-dimethyloxolan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N,2-dimethyloxolan-3-amine
PubChem CID82718464
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name3-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N,2-dimethyloxolan-3-amine
SMILESCC(c1ccccc1Cl)N(C)C1(CN)CCOC1C
InChIInChI=1S/C15H23ClN2O/c1-11(13-6-4-5-7-14(13)16)18(3)15(10-17)8-9-19-12(15)2/h4-7,11-12H,8-10,17H2,1-3H3
InChIKeyUXWLRYUEZLQHOH-UHFFFAOYSA-N
XLogP2.84
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-2-methoxy-N-methylcyclohexan-1-amine
CID 106872470
1-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N,4-dimethylcycloheptan-1-amine
CID 65085040
3-(aminomethyl)-N,2-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)oxolan-3-amine
CID 82718623
3-[[1-(2-chlorophenyl)ethylamino]methyl]-2-methyloxolan-3-ol
CID 107270611
3-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-1-cyclopropyl-N-methylpyrrolidin-3-amine
CID 62980197
N-[[3-(aminomethyl)oxolan-3-yl]methyl]-1-(2-chlorophenyl)-N-methylethanamine
CID 62986113
3-(aminomethyl)-2-methyl-N,N-bis(2-methylpropyl)oxolan-3-amine
CID 82719159
3-(aminomethyl)-N-[(3-bromophenyl)methyl]-N,2-dimethyloxolan-3-amine
CID 82717967
N-[[4-(aminomethyl)cyclohexyl]methyl]-1-(2-chlorophenyl)-N-methylethanamine
CID 79533826
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-1-(2-chlorophenyl)-N-methylethanamine
CID 65480545
3-(aminomethyl)-N-cyclopentyl-N,2-dimethyloxolan-3-amine
CID 82717798
1-N-[1-(2-chlorophenyl)ethyl]-1-N,2-dimethylbutane-1,3-diamine
CID 113416108

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N,2-dimethyloxolan-3-amine?
The IUPAC name of 3-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N,2-dimethyloxolan-3-amine (CID 82718464) is 3-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N,2-dimethyloxolan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N,2-dimethyloxolan-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N,2-dimethyloxolan-3-amine is CC(c1ccccc1Cl)N(C)C1(CN)CCOC1C.
What is the InChIKey of 3-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N,2-dimethyloxolan-3-amine?
The InChIKey is UXWLRYUEZLQHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-11(13-6-4-5-7-14(13)16)18(3)15(10-17)8-9-19-12(15)2/h4-7,11-12H,8-10,17H2,1-3H3.
What are the key properties of 3-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N,2-dimethyloxolan-3-amine?
3-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N,2-dimethyloxolan-3-amine has a molecular weight of 282.81 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N,2-dimethyloxolan-3-amine is sourced from PubChem (CID 82718464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).