N-[[3-(aminomethyl)oxolan-3-yl]methyl]-1-(2-chlorophenyl)-N-methylethanamine

C15H23ClN2O — CID 62986113

IUPACN-[[3-(aminomethyl)oxolan-3-yl]methyl]-1-(2-chlorophenyl)-N-methylethanamine
SMILESCC(c1ccccc1Cl)N(C)CC1(CN)CCOC1
InChIInChI=1S/C15H23ClN2O/c1-12(13-5-3-4-6-14(13)16)18(2)10-15(9-17)7-8-19-11-15/h3-6,12H,7-11,17H2,1-2H3
InChIKeyZRLNQJILIOOIDW-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.70
Rot. Bonds5

About N-[[3-(aminomethyl)oxolan-3-yl]methyl]-1-(2-chlorophenyl)-N-methylethanamine

N-[[3-(aminomethyl)oxolan-3-yl]methyl]-1-(2-chlorophenyl)-N-methylethanamine (PubChem CID 62986113) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is N-[[3-(aminomethyl)oxolan-3-yl]methyl]-1-(2-chlorophenyl)-N-methylethanamine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)oxolan-3-yl]methyl]-1-(2-chlorophenyl)-N-methylethanamine
PubChem CID62986113
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC NameN-[[3-(aminomethyl)oxolan-3-yl]methyl]-1-(2-chlorophenyl)-N-methylethanamine
SMILESCC(c1ccccc1Cl)N(C)CC1(CN)CCOC1
InChIInChI=1S/C15H23ClN2O/c1-12(13-5-3-4-6-14(13)16)18(2)10-15(9-17)7-8-19-11-15/h3-6,12H,7-11,17H2,1-2H3
InChIKeyZRLNQJILIOOIDW-UHFFFAOYSA-N
XLogP2.70
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2-aminoethyl)cyclopropyl]methyl]-1-(2-chlorophenyl)-N-methylethanamine
CID 65480545
N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine
CID 79486442
N-[[3-(aminomethyl)oxolan-3-yl]methyl]-1-methoxy-N-methylpropan-2-amine
CID 62257645
1-(4-chlorophenyl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]ethanamine
CID 62984001
4-[[[2-amino-1-(2-chlorophenyl)propyl]-methylamino]methyl]oxan-4-ol
CID 114948474
4-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]piperidin-4-ol
CID 62978113
1-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]cyclohexane-1-carbaldehyde
CID 62986108
3-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N,2-dimethyloxolan-3-amine
CID 82718464
1-(2-chlorophenyl)-N-ethyl-N-methylethanamine
CID 126986399
1-N-[1-(2-chlorophenyl)ethyl]-1-N-methylpropane-1,2-diamine
CID 62985590
3-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methyloxolan-3-amine
CID 63335288
N-[[2-(aminomethyl)phenyl]methyl]-1-(2-chlorophenyl)-N-methylethanamine
CID 62980012

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)oxolan-3-yl]methyl]-1-(2-chlorophenyl)-N-methylethanamine?
The IUPAC name of N-[[3-(aminomethyl)oxolan-3-yl]methyl]-1-(2-chlorophenyl)-N-methylethanamine (CID 62986113) is N-[[3-(aminomethyl)oxolan-3-yl]methyl]-1-(2-chlorophenyl)-N-methylethanamine.
What is the SMILES notation for N-[[3-(aminomethyl)oxolan-3-yl]methyl]-1-(2-chlorophenyl)-N-methylethanamine?
The canonical SMILES for N-[[3-(aminomethyl)oxolan-3-yl]methyl]-1-(2-chlorophenyl)-N-methylethanamine is CC(c1ccccc1Cl)N(C)CC1(CN)CCOC1.
What is the InChIKey of N-[[3-(aminomethyl)oxolan-3-yl]methyl]-1-(2-chlorophenyl)-N-methylethanamine?
The InChIKey is ZRLNQJILIOOIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-12(13-5-3-4-6-14(13)16)18(2)10-15(9-17)7-8-19-11-15/h3-6,12H,7-11,17H2,1-2H3.
What are the key properties of N-[[3-(aminomethyl)oxolan-3-yl]methyl]-1-(2-chlorophenyl)-N-methylethanamine?
N-[[3-(aminomethyl)oxolan-3-yl]methyl]-1-(2-chlorophenyl)-N-methylethanamine has a molecular weight of 282.81 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)oxolan-3-yl]methyl]-1-(2-chlorophenyl)-N-methylethanamine is sourced from PubChem (CID 62986113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).