2-(2,3-dichlorophenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine

C14H19Cl2NO2 — CID 55093100

IUPAC2-(2,3-dichlorophenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine
SMILESCC(CNCC1CCCO1)Oc1cccc(Cl)c1Cl
InChIInChI=1S/C14H19Cl2NO2/c1-10(8-17-9-11-4-3-7-18-11)19-13-6-2-5-12(15)14(13)16/h2,5-6,10-11,17H,3-4,7-9H2,1H3
InChIKeyMSQALIWJFOQDMV-UHFFFAOYSA-N
MW304.22 g/mol
LogP3.53
Rot. Bonds6

About 2-(2,3-dichlorophenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine

2-(2,3-dichlorophenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine (PubChem CID 55093100) has the molecular formula C14H19Cl2NO2 and a molecular weight of 304.22 g/mol. Its IUPAC name is 2-(2,3-dichlorophenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-(2,3-dichlorophenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine
PubChem CID55093100
Molecular FormulaC14H19Cl2NO2
Molecular Weight304.22 g/mol
Exact Mass303.08
IUPAC Name2-(2,3-dichlorophenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine
SMILESCC(CNCC1CCCO1)Oc1cccc(Cl)c1Cl
InChIInChI=1S/C14H19Cl2NO2/c1-10(8-17-9-11-4-3-7-18-11)19-13-6-2-5-12(15)14(13)16/h2,5-6,10-11,17H,3-4,7-9H2,1H3
InChIKeyMSQALIWJFOQDMV-UHFFFAOYSA-N
XLogP3.53
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.22
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dimethylphenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 62573039
(2S)-2-(2,3-dichlorophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 42561363
2-(2,3-dichlorophenoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 17249245
2-(2-methylsulfanylphenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 63649409
N-[2-(2,3-dichlorophenoxy)propyl]cyclopentanamine
CID 62599040
N-[[2-[(2R)-butan-2-yl]oxyphenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 95167614
N-[(2,3-dichlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 7458212
1-(2,3-dichlorophenyl)-N-(oxolan-2-ylmethyl)ethanamine
CID 113259759
2-(3,5-difluorophenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 62784900
(2R)-3-(2,6-dimethoxyphenoxy)-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propan-1-amine
CID 915883
(2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-phenylpropan-1-amine
CID 40654008
N-(oxolan-2-ylmethyl)-2-phenylpropan-1-amine
CID 3366630

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine?
The IUPAC name of 2-(2,3-dichlorophenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine (CID 55093100) is 2-(2,3-dichlorophenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-(2,3-dichlorophenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine?
The canonical SMILES for 2-(2,3-dichlorophenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine is CC(CNCC1CCCO1)Oc1cccc(Cl)c1Cl.
What is the InChIKey of 2-(2,3-dichlorophenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine?
The InChIKey is MSQALIWJFOQDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO2/c1-10(8-17-9-11-4-3-7-18-11)19-13-6-2-5-12(15)14(13)16/h2,5-6,10-11,17H,3-4,7-9H2,1H3.
What are the key properties of 2-(2,3-dichlorophenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine?
2-(2,3-dichlorophenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine has a molecular weight of 304.22 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 55093100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).