N-[[3-[(3,4-dichlorophenyl)methyl]oxolan-3-yl]methyl]propan-1-amine

C15H21Cl2NO — CID 62719558

IUPACN-[[3-[(3,4-dichlorophenyl)methyl]oxolan-3-yl]methyl]propan-1-amine
SMILESCCCNCC1(Cc2ccc(Cl)c(Cl)c2)CCOC1
InChIInChI=1S/C15H21Cl2NO/c1-2-6-18-10-15(5-7-19-11-15)9-12-3-4-13(16)14(17)8-12/h3-4,8,18H,2,5-7,9-11H2,1H3
InChIKeyDFSZSTVBUSOKPI-UHFFFAOYSA-N
MW302.25 g/mol
LogP3.94
Rot. Bonds6

About N-[[3-[(3,4-dichlorophenyl)methyl]oxolan-3-yl]methyl]propan-1-amine

N-[[3-[(3,4-dichlorophenyl)methyl]oxolan-3-yl]methyl]propan-1-amine (PubChem CID 62719558) has the molecular formula C15H21Cl2NO and a molecular weight of 302.25 g/mol. Its IUPAC name is N-[[3-[(3,4-dichlorophenyl)methyl]oxolan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-[(3,4-dichlorophenyl)methyl]oxolan-3-yl]methyl]propan-1-amine
PubChem CID62719558
Molecular FormulaC15H21Cl2NO
Molecular Weight302.25 g/mol
Exact Mass301.10
IUPAC NameN-[[3-[(3,4-dichlorophenyl)methyl]oxolan-3-yl]methyl]propan-1-amine
SMILESCCCNCC1(Cc2ccc(Cl)c(Cl)c2)CCOC1
InChIInChI=1S/C15H21Cl2NO/c1-2-6-18-10-15(5-7-19-11-15)9-12-3-4-13(16)14(17)8-12/h3-4,8,18H,2,5-7,9-11H2,1H3
InChIKeyDFSZSTVBUSOKPI-UHFFFAOYSA-N
XLogP3.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[3-[(3,4-dichlorophenyl)methyl]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-[(4-bromophenyl)methyl]oxolan-3-yl]methyl]propan-1-amine
CID 62720101
N-[[3-[(3-methylphenyl)methyl]oxolan-3-yl]methyl]propan-1-amine
CID 62719920
N-[[3-(furan-2-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
CID 62997767
N-[[3-[(5-fluoro-2-methylphenyl)methyl]oxolan-3-yl]methyl]propan-1-amine
CID 105374955
4-(chloromethyl)-4-[(3,4-dichlorophenyl)methyl]oxane
CID 66035545
1-[3-[(4-chlorophenyl)methyl]oxolan-3-yl]-N-methylmethanamine
CID 62718017
2-methoxy-N-[[3-[(4-methylphenyl)methyl]oxolan-3-yl]methyl]ethanamine
CID 62718692
N-[[3-[(3-bromo-4-methoxyphenyl)methyl]oxolan-3-yl]methyl]-2-methoxyethanamine
CID 62718375
3-[(3,4-dichlorophenyl)methyl]oxolan-3-ol
CID 65145994
N-[[1-(3,4-dichlorophenyl)cyclopentyl]methyl]propan-1-amine
CID 63511575
N-[[3-[[methyl(2-pyridin-4-ylethyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine
CID 62255991
N-[[4-[2-(2-methylpyrazol-3-yl)ethyl]oxan-4-yl]methyl]propan-1-amine
CID 103014575

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3,4-dichlorophenyl)methyl]oxolan-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3-[(3,4-dichlorophenyl)methyl]oxolan-3-yl]methyl]propan-1-amine (CID 62719558) is N-[[3-[(3,4-dichlorophenyl)methyl]oxolan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-[(3,4-dichlorophenyl)methyl]oxolan-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-[(3,4-dichlorophenyl)methyl]oxolan-3-yl]methyl]propan-1-amine is CCCNCC1(Cc2ccc(Cl)c(Cl)c2)CCOC1.
What is the InChIKey of N-[[3-[(3,4-dichlorophenyl)methyl]oxolan-3-yl]methyl]propan-1-amine?
The InChIKey is DFSZSTVBUSOKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO/c1-2-6-18-10-15(5-7-19-11-15)9-12-3-4-13(16)14(17)8-12/h3-4,8,18H,2,5-7,9-11H2,1H3.
What are the key properties of N-[[3-[(3,4-dichlorophenyl)methyl]oxolan-3-yl]methyl]propan-1-amine?
N-[[3-[(3,4-dichlorophenyl)methyl]oxolan-3-yl]methyl]propan-1-amine has a molecular weight of 302.25 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(3,4-dichlorophenyl)methyl]oxolan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 62719558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).