N-[2-(3,4-dichlorophenyl)-1-(oxan-2-yl)ethyl]propan-1-amine

C16H23Cl2NO — CID 115843397

IUPACN-[2-(3,4-dichlorophenyl)-1-(oxan-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Cl)c(Cl)c1)C1CCCCO1
InChIInChI=1S/C16H23Cl2NO/c1-2-8-19-15(16-5-3-4-9-20-16)11-12-6-7-13(17)14(18)10-12/h6-7,10,15-16,19H,2-5,8-9,11H2,1H3
InChIKeyFEHKGJPXRXJNPQ-UHFFFAOYSA-N
MW316.27 g/mol
LogP4.47
Rot. Bonds6

About N-[2-(3,4-dichlorophenyl)-1-(oxan-2-yl)ethyl]propan-1-amine

N-[2-(3,4-dichlorophenyl)-1-(oxan-2-yl)ethyl]propan-1-amine (PubChem CID 115843397) has the molecular formula C16H23Cl2NO and a molecular weight of 316.27 g/mol. Its IUPAC name is N-[2-(3,4-dichlorophenyl)-1-(oxan-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3,4-dichlorophenyl)-1-(oxan-2-yl)ethyl]propan-1-amine
PubChem CID115843397
Molecular FormulaC16H23Cl2NO
Molecular Weight316.27 g/mol
Exact Mass315.12
IUPAC NameN-[2-(3,4-dichlorophenyl)-1-(oxan-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Cl)c(Cl)c1)C1CCCCO1
InChIInChI=1S/C16H23Cl2NO/c1-2-8-19-15(16-5-3-4-9-20-16)11-12-6-7-13(17)14(18)10-12/h6-7,10,15-16,19H,2-5,8-9,11H2,1H3
InChIKeyFEHKGJPXRXJNPQ-UHFFFAOYSA-N
XLogP4.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.27
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(3,4-dichlorophenyl)-1-(oxan-2-yl)ethyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-dichlorophenyl)-N-methyl-1-(oxan-2-yl)ethanamine
CID 115843395
N-[2-(3,4-dimethylphenyl)-1-(oxolan-2-yl)ethyl]propan-1-amine
CID 65328260
N-[2-(2,3-dihydro-1H-inden-5-yl)-1-(oxolan-2-yl)ethyl]propan-1-amine
CID 65328765
N-[2-(3,4-dichlorophenyl)-1-(4-methylmorpholin-2-yl)ethyl]propan-1-amine
CID 79095154
N-[1-(oxan-2-yl)-2-pyridin-3-ylethyl]propan-1-amine
CID 105034736
N-[1-(oxolan-2-yl)-2-phenylethyl]propan-1-amine
CID 61065088
N-[2-(3-chloro-2-fluorophenyl)-1-(oxan-2-yl)ethyl]propan-1-amine
CID 102866337
N-[2-(2-chloro-3-fluorophenyl)-1-(oxan-2-yl)ethyl]propan-1-amine
CID 105032641
2-(3-chloro-4-fluorophenyl)-N-methyl-1-(oxan-2-yl)ethanamine
CID 103043459
N-[2-(4-chloro-3-fluorophenyl)-1-(1,4-dioxan-2-yl)ethyl]propan-1-amine
CID 107891917
N-[2-(2-bromo-4-fluorophenyl)-1-(oxan-2-yl)ethyl]propan-1-amine
CID 115843320
N-[2-(5-bromo-2-pyridinyl)-1-(oxan-2-yl)ethyl]propan-1-amine
CID 105036459

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichlorophenyl)-1-(oxan-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(3,4-dichlorophenyl)-1-(oxan-2-yl)ethyl]propan-1-amine (CID 115843397) is N-[2-(3,4-dichlorophenyl)-1-(oxan-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3,4-dichlorophenyl)-1-(oxan-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(3,4-dichlorophenyl)-1-(oxan-2-yl)ethyl]propan-1-amine is CCCNC(Cc1ccc(Cl)c(Cl)c1)C1CCCCO1.
What is the InChIKey of N-[2-(3,4-dichlorophenyl)-1-(oxan-2-yl)ethyl]propan-1-amine?
The InChIKey is FEHKGJPXRXJNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2NO/c1-2-8-19-15(16-5-3-4-9-20-16)11-12-6-7-13(17)14(18)10-12/h6-7,10,15-16,19H,2-5,8-9,11H2,1H3.
What are the key properties of N-[2-(3,4-dichlorophenyl)-1-(oxan-2-yl)ethyl]propan-1-amine?
N-[2-(3,4-dichlorophenyl)-1-(oxan-2-yl)ethyl]propan-1-amine has a molecular weight of 316.27 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichlorophenyl)-1-(oxan-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 115843397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).