N-[(2,3-dichlorophenyl)-(oxolan-3-yl)methyl]propan-1-amine

C14H19Cl2NO — CID 65330313

IUPACN-[(2,3-dichlorophenyl)-(oxolan-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(Cl)c1Cl)C1CCOC1
InChIInChI=1S/C14H19Cl2NO/c1-2-7-17-14(10-6-8-18-9-10)11-4-3-5-12(15)13(11)16/h3-5,10,14,17H,2,6-9H2,1H3
InChIKeyMDVZUDFXKRYYJC-UHFFFAOYSA-N
MW288.22 g/mol
LogP4.07
Rot. Bonds5

About N-[(2,3-dichlorophenyl)-(oxolan-3-yl)methyl]propan-1-amine

N-[(2,3-dichlorophenyl)-(oxolan-3-yl)methyl]propan-1-amine (PubChem CID 65330313) has the molecular formula C14H19Cl2NO and a molecular weight of 288.22 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)-(oxolan-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,3-dichlorophenyl)-(oxolan-3-yl)methyl]propan-1-amine
PubChem CID65330313
Molecular FormulaC14H19Cl2NO
Molecular Weight288.22 g/mol
Exact Mass287.08
IUPAC NameN-[(2,3-dichlorophenyl)-(oxolan-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(Cl)c1Cl)C1CCOC1
InChIInChI=1S/C14H19Cl2NO/c1-2-7-17-14(10-6-8-18-9-10)11-4-3-5-12(15)13(11)16/h3-5,10,14,17H,2,6-9H2,1H3
InChIKeyMDVZUDFXKRYYJC-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

Analyze N-[(2,3-dichlorophenyl)-(oxolan-3-yl)methyl]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

N-[(3-bromo-2-chlorophenyl)-(oxan-4-yl)methyl]propan-1-amine
CID 115856015
N-[(2,3-dichlorophenyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine
CID 115851413
N-[(3-chloro-2-fluorophenyl)-(oxolan-3-yl)methyl]ethanamine
CID 64713292
N-[(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(oxolan-3-yl)methyl]propan-1-amine
CID 61276689
N-[7-bicyclo[4.1.0]heptanyl-(2,3-dichlorophenyl)methyl]propan-1-amine
CID 115851206
N-[(2-chlorophenyl)-cyclopropylmethyl]propan-1-amine
CID 61030394
N-[oxolan-3-yl(pyridin-3-yl)methyl]propan-1-amine
CID 63565500
N-[(2-ethylphenyl)-(oxan-3-yl)methyl]propan-1-amine
CID 107139020
N-[cyclobutyl-(2,3-dichlorophenyl)methyl]ethanamine
CID 64986692
1-(2,3-dichlorophenyl)-3-(oxolan-3-yl)-N-propylpropan-2-amine
CID 107309012
N-[(5-bromo-2-chlorophenyl)-(oxan-3-yl)methyl]propan-1-amine
CID 107138915
N-[(7-bromo-1-benzothiophen-3-yl)-(oxolan-3-yl)methyl]propan-1-amine
CID 81142151

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichlorophenyl)-(oxolan-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2,3-dichlorophenyl)-(oxolan-3-yl)methyl]propan-1-amine (CID 65330313) is N-[(2,3-dichlorophenyl)-(oxolan-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,3-dichlorophenyl)-(oxolan-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,3-dichlorophenyl)-(oxolan-3-yl)methyl]propan-1-amine is CCCNC(c1cccc(Cl)c1Cl)C1CCOC1.
What is the InChIKey of N-[(2,3-dichlorophenyl)-(oxolan-3-yl)methyl]propan-1-amine?
The InChIKey is MDVZUDFXKRYYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO/c1-2-7-17-14(10-6-8-18-9-10)11-4-3-5-12(15)13(11)16/h3-5,10,14,17H,2,6-9H2,1H3.
What are the key properties of N-[(2,3-dichlorophenyl)-(oxolan-3-yl)methyl]propan-1-amine?
N-[(2,3-dichlorophenyl)-(oxolan-3-yl)methyl]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 N-[(2,3-dichlorophenyl)-(oxolan-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 65330313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).