1-(4-chlorophenyl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]ethanamine

C16H25ClN2O — CID 62984001

IUPAC1-(4-chlorophenyl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]ethanamine
SMILESCNCC1(CN(C)C(C)c2ccc(Cl)cc2)CCOC1
InChIInChI=1S/C16H25ClN2O/c1-13(14-4-6-15(17)7-5-14)19(3)11-16(10-18-2)8-9-20-12-16/h4-7,13,18H,8-12H2,1-3H3
InChIKeyBHLMNUUWJUFEML-UHFFFAOYSA-N
MW296.84 g/mol
LogP2.96
Rot. Bonds6

About 1-(4-chlorophenyl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]ethanamine

1-(4-chlorophenyl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]ethanamine (PubChem CID 62984001) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]ethanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]ethanamine
PubChem CID62984001
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name1-(4-chlorophenyl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]ethanamine
SMILESCNCC1(CN(C)C(C)c2ccc(Cl)cc2)CCOC1
InChIInChI=1S/C16H25ClN2O/c1-13(14-4-6-15(17)7-5-14)19(3)11-16(10-18-2)8-9-20-12-16/h4-7,13,18H,8-12H2,1-3H3
InChIKeyBHLMNUUWJUFEML-UHFFFAOYSA-N
XLogP2.96
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-N-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]ethanamine
CID 62985578
1-(4-chlorophenyl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]methanamine
CID 62260904
1-[3-[(4-chlorophenyl)methyl]oxolan-3-yl]-N-methylmethanamine
CID 62718017
N,4-dimethyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]pentan-2-amine
CID 55056496
2-[1-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]cyclopropyl]acetonitrile
CID 65493424
1-(2-chlorophenyl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]methanamine
CID 62272813
3-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-N-(3-methylbutyl)butan-1-amine
CID 107871141
N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]cyclopropanamine
CID 62262539
1-(4-chlorophenyl)-N-methyl-N-[(4-propylpiperidin-4-yl)methyl]ethanamine
CID 63129786
N-[[3-(aminomethyl)oxolan-3-yl]methyl]-1-(2-chlorophenyl)-N-methylethanamine
CID 62986113
1-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]cyclobutan-1-amine
CID 81170816
[3-[[1-(4-fluorophenyl)ethyl-methylamino]methyl]oxetan-3-yl]methanol
CID 111976555

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]ethanamine?
The IUPAC name of 1-(4-chlorophenyl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]ethanamine (CID 62984001) is 1-(4-chlorophenyl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]ethanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]ethanamine?
The canonical SMILES for 1-(4-chlorophenyl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]ethanamine is CNCC1(CN(C)C(C)c2ccc(Cl)cc2)CCOC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]ethanamine?
The InChIKey is BHLMNUUWJUFEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-13(14-4-6-15(17)7-5-14)19(3)11-16(10-18-2)8-9-20-12-16/h4-7,13,18H,8-12H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]ethanamine?
1-(4-chlorophenyl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]ethanamine has a molecular weight of 296.84 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]ethanamine is sourced from PubChem (CID 62984001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).