1-(2,4-dichlorophenyl)-N-(oxolan-3-ylmethyl)propan-1-amine

C14H19Cl2NO — CID 54932273

IUPAC1-(2,4-dichlorophenyl)-N-(oxolan-3-ylmethyl)propan-1-amine
SMILESCCC(NCC1CCOC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H19Cl2NO/c1-2-14(17-8-10-5-6-18-9-10)12-4-3-11(15)7-13(12)16/h3-4,7,10,14,17H,2,5-6,8-9H2,1H3
InChIKeyAPAIYJDXYOTGHQ-UHFFFAOYSA-N
MW288.22 g/mol
LogP4.07
Rot. Bonds5

About 1-(2,4-dichlorophenyl)-N-(oxolan-3-ylmethyl)propan-1-amine

1-(2,4-dichlorophenyl)-N-(oxolan-3-ylmethyl)propan-1-amine (PubChem CID 54932273) has the molecular formula C14H19Cl2NO and a molecular weight of 288.22 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-(oxolan-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-(oxolan-3-ylmethyl)propan-1-amine
PubChem CID54932273
Molecular FormulaC14H19Cl2NO
Molecular Weight288.22 g/mol
Exact Mass287.08
IUPAC Name1-(2,4-dichlorophenyl)-N-(oxolan-3-ylmethyl)propan-1-amine
SMILESCCC(NCC1CCOC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H19Cl2NO/c1-2-14(17-8-10-5-6-18-9-10)12-4-3-11(15)7-13(12)16/h3-4,7,10,14,17H,2,5-6,8-9H2,1H3
InChIKeyAPAIYJDXYOTGHQ-UHFFFAOYSA-N
XLogP4.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dichlorophenyl)-N-(1,4-dioxan-2-ylmethyl)propan-1-amine
CID 54907161
1-(2,4-dichlorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine
CID 61209100
N-(oxolan-3-ylmethyl)-1-phenylpropan-1-amine
CID 60920561
N-(oxolan-3-ylmethyl)-1-(2,3,4-trichlorophenyl)ethanamine
CID 54931945
1-(4-bromo-2-chlorophenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 82773424
1-(4-chlorophenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 43202343
1-(3-chloro-4-fluorophenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 54931991
1-(2,4-dichlorophenyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]propan-1-amine
CID 114515230
2,5-dichloro-N-(oxolan-3-ylmethyl)aniline
CID 43191026
1-(2,6-dichloro-3-fluorophenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 54932036
2-(2,4-dichlorophenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 43193588
N-[(2,5-dichlorophenyl)methyl]-1-[(3S)-oxolan-3-yl]methanamine
CID 96982783

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-(oxolan-3-ylmethyl)propan-1-amine?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-(oxolan-3-ylmethyl)propan-1-amine (CID 54932273) is 1-(2,4-dichlorophenyl)-N-(oxolan-3-ylmethyl)propan-1-amine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-(oxolan-3-ylmethyl)propan-1-amine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-(oxolan-3-ylmethyl)propan-1-amine is CCC(NCC1CCOC1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-(oxolan-3-ylmethyl)propan-1-amine?
The InChIKey is APAIYJDXYOTGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO/c1-2-14(17-8-10-5-6-18-9-10)12-4-3-11(15)7-13(12)16/h3-4,7,10,14,17H,2,5-6,8-9H2,1H3.
What are the key properties of 1-(2,4-dichlorophenyl)-N-(oxolan-3-ylmethyl)propan-1-amine?
1-(2,4-dichlorophenyl)-N-(oxolan-3-ylmethyl)propan-1-amine has a molecular weight of 288.22 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-(oxolan-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 54932273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).