1-(3,4-dichlorophenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine

C14H19Cl2NO — CID 82834051

IUPAC1-(3,4-dichlorophenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine
SMILESCC1CCC(CNC(C)c2ccc(Cl)c(Cl)c2)O1
InChIInChI=1S/C14H19Cl2NO/c1-9-3-5-12(18-9)8-17-10(2)11-4-6-13(15)14(16)7-11/h4,6-7,9-10,12,17H,3,5,8H2,1-2H3
InChIKeyMRTDUPXRFZIUGD-UHFFFAOYSA-N
MW288.22 g/mol
LogP4.21
Rot. Bonds4

About 1-(3,4-dichlorophenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine

1-(3,4-dichlorophenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine (PubChem CID 82834051) has the molecular formula C14H19Cl2NO and a molecular weight of 288.22 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine
PubChem CID82834051
Molecular FormulaC14H19Cl2NO
Molecular Weight288.22 g/mol
Exact Mass287.08
IUPAC Name1-(3,4-dichlorophenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine
SMILESCC1CCC(CNC(C)c2ccc(Cl)c(Cl)c2)O1
InChIInChI=1S/C14H19Cl2NO/c1-9-3-5-12(18-9)8-17-10(2)11-4-6-13(15)14(16)7-11/h4,6-7,9-10,12,17H,3,5,8H2,1-2H3
InChIKeyMRTDUPXRFZIUGD-UHFFFAOYSA-N
XLogP4.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-tert-butylphenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 82834989
(1R)-1-(4-bromophenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 82836687
1-(1,3-benzodioxol-5-yl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 82833988
1-(2-chlorophenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 82835073
4-[1-[(5-methyloxolan-2-yl)methylamino]ethyl]benzonitrile
CID 82833990
1-(3,4-dichlorophenyl)-N-(1,4-dioxan-2-ylmethyl)ethanamine
CID 54907448
1-(4-chlorophenyl)-2-methyl-N-[(5-methyloxolan-2-yl)methyl]propan-1-amine
CID 82834259
N-[(5-methyloxolan-2-yl)methyl]-1-(3-nitrophenyl)ethanamine
CID 82835445
1-(3,4-dichlorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 78960515
(1S)-1-(furan-2-yl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 82836690
1-(3,4-dichlorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine
CID 61207358
1-(3,4-dichlorophenyl)-N-[(4,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 65246502

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine (CID 82834051) is 1-(3,4-dichlorophenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine is CC1CCC(CNC(C)c2ccc(Cl)c(Cl)c2)O1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine?
The InChIKey is MRTDUPXRFZIUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO/c1-9-3-5-12(18-9)8-17-10(2)11-4-6-13(15)14(16)7-11/h4,6-7,9-10,12,17H,3,5,8H2,1-2H3.
What are the key properties of 1-(3,4-dichlorophenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine?
1-(3,4-dichlorophenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine has a molecular weight of 288.22 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine is sourced from PubChem (CID 82834051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).