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

C14H19Cl2NO2 — CID 54907161

IUPAC1-(2,4-dichlorophenyl)-N-(1,4-dioxan-2-ylmethyl)propan-1-amine
SMILESCCC(NCC1COCCO1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H19Cl2NO2/c1-2-14(12-4-3-10(15)7-13(12)16)17-8-11-9-18-5-6-19-11/h3-4,7,11,14,17H,2,5-6,8-9H2,1H3
InChIKeyXOOLSHJWAJRWDU-UHFFFAOYSA-N
MW304.22 g/mol
LogP3.45
Rot. Bonds5

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

1-(2,4-dichlorophenyl)-N-(1,4-dioxan-2-ylmethyl)propan-1-amine (PubChem CID 54907161) has the molecular formula C14H19Cl2NO2 and a molecular weight of 304.22 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-(1,4-dioxan-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-(1,4-dioxan-2-ylmethyl)propan-1-amine
PubChem CID54907161
Molecular FormulaC14H19Cl2NO2
Molecular Weight304.22 g/mol
Exact Mass303.08
IUPAC Name1-(2,4-dichlorophenyl)-N-(1,4-dioxan-2-ylmethyl)propan-1-amine
SMILESCCC(NCC1COCCO1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H19Cl2NO2/c1-2-14(12-4-3-10(15)7-13(12)16)17-8-11-9-18-5-6-19-11/h3-4,7,11,14,17H,2,5-6,8-9H2,1H3
InChIKeyXOOLSHJWAJRWDU-UHFFFAOYSA-N
XLogP3.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.22
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dichlorophenyl)-N-(oxolan-3-ylmethyl)propan-1-amine
CID 54932273
1-(2,4-dichloro-5-fluorophenyl)-N-(1,4-dioxan-2-ylmethyl)ethanamine
CID 54907786
1-(3-chlorophenyl)-N-(1,4-dioxan-2-ylmethyl)ethanamine
CID 54907396
1-(3,4-dichlorophenyl)-N-(1,4-dioxan-2-ylmethyl)ethanamine
CID 54907448
1-[[1-(2,4-dichlorophenyl)propylamino]methyl]cyclopentan-1-ol
CID 65105429
1-(2,4-dichlorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine
CID 61209100
1-[[1-(2,4-dichlorophenyl)propylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 83107544
1-(3,4-difluorophenyl)-N-(1,4-dioxan-2-ylmethyl)ethanamine
CID 54907301
1-(2,4-dichlorophenyl)-3-(oxan-2-yl)-N-propylpropan-1-amine
CID 63952139
N-[1-(2,4-dichlorophenyl)propyl]-2-methyloxan-4-amine
CID 103907260
N-[1-(2,4-dichlorophenyl)propyl]-N',N'-dimethylethane-1,2-diamine
CID 43503257
2-[bromo-(2,4-dichlorophenyl)methyl]-1,4-dioxane
CID 62805108

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-(1,4-dioxan-2-ylmethyl)propan-1-amine?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-(1,4-dioxan-2-ylmethyl)propan-1-amine (CID 54907161) is 1-(2,4-dichlorophenyl)-N-(1,4-dioxan-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-(1,4-dioxan-2-ylmethyl)propan-1-amine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-(1,4-dioxan-2-ylmethyl)propan-1-amine is CCC(NCC1COCCO1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-(1,4-dioxan-2-ylmethyl)propan-1-amine?
The InChIKey is XOOLSHJWAJRWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO2/c1-2-14(12-4-3-10(15)7-13(12)16)17-8-11-9-18-5-6-19-11/h3-4,7,11,14,17H,2,5-6,8-9H2,1H3.
What are the key properties of 1-(2,4-dichlorophenyl)-N-(1,4-dioxan-2-ylmethyl)propan-1-amine?
1-(2,4-dichlorophenyl)-N-(1,4-dioxan-2-ylmethyl)propan-1-amine has a molecular weight of 304.22 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-(1,4-dioxan-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 54907161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).