N-[1,4-dioxan-2-yl-(3-methylphenyl)methyl]propan-1-amine

C15H23NO2 — CID 65352691

IUPACN-[1,4-dioxan-2-yl-(3-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(C)c1)C1COCCO1
InChIInChI=1S/C15H23NO2/c1-3-7-16-15(14-11-17-8-9-18-14)13-6-4-5-12(2)10-13/h4-6,10,14-16H,3,7-9,11H2,1-2H3
InChIKeyOTDAVWNMQKMFSP-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.45
Rot. Bonds5

About N-[1,4-dioxan-2-yl-(3-methylphenyl)methyl]propan-1-amine

N-[1,4-dioxan-2-yl-(3-methylphenyl)methyl]propan-1-amine (PubChem CID 65352691) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-[1,4-dioxan-2-yl-(3-methylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[1,4-dioxan-2-yl-(3-methylphenyl)methyl]propan-1-amine
PubChem CID65352691
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-[1,4-dioxan-2-yl-(3-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(C)c1)C1COCCO1
InChIInChI=1S/C15H23NO2/c1-3-7-16-15(14-11-17-8-9-18-14)13-6-4-5-12(2)10-13/h4-6,10,14-16H,3,7-9,11H2,1-2H3
InChIKeyOTDAVWNMQKMFSP-UHFFFAOYSA-N
XLogP2.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1,4-dioxan-2-yl-(3-methylphenyl)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-cyclopropyloxyphenyl)-(1,4-dioxan-2-yl)methyl]propan-1-amine
CID 105051921
N-[(3-bromo-4-fluorophenyl)-(1,4-dioxan-2-yl)methyl]propan-1-amine
CID 79747032
N-[1,4-dioxan-2-yl-(5-methyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 105045384
N-[(2,6-difluorophenyl)-(1,4-dioxan-2-yl)methyl]propan-1-amine
CID 65352954
N-[1,4-dioxan-2-yl(quinolin-7-yl)methyl]propan-1-amine
CID 114286917
N-[1,4-dioxan-2-yl-(2,4,5-trimethylphenyl)methyl]propan-1-amine
CID 65352236
N-[1,4-dioxan-2-yl-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]propan-1-amine
CID 62805438
N-[1,4-dioxan-2-yl-[4-(2-methylpropyl)phenyl]methyl]propan-1-amine
CID 62805613
N-[1-benzofuran-2-yl(1,4-dioxan-2-yl)methyl]propan-1-amine
CID 105044189
N-[(2,6-difluoro-3-methylphenyl)-(1,4-dioxan-2-yl)methyl]propan-1-amine
CID 115867535
N-[(2,5-dibromo-4-methylphenyl)-(1,4-dioxan-2-yl)methyl]propan-1-amine
CID 81473205
N-[1,4-dioxan-2-yl-(4-methoxy-2,5-dimethylphenyl)methyl]propan-1-amine
CID 105032985

Frequently Asked Questions

What is the IUPAC name of N-[1,4-dioxan-2-yl-(3-methylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[1,4-dioxan-2-yl-(3-methylphenyl)methyl]propan-1-amine (CID 65352691) is N-[1,4-dioxan-2-yl-(3-methylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[1,4-dioxan-2-yl-(3-methylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[1,4-dioxan-2-yl-(3-methylphenyl)methyl]propan-1-amine is CCCNC(c1cccc(C)c1)C1COCCO1.
What is the InChIKey of N-[1,4-dioxan-2-yl-(3-methylphenyl)methyl]propan-1-amine?
The InChIKey is OTDAVWNMQKMFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-7-16-15(14-11-17-8-9-18-14)13-6-4-5-12(2)10-13/h4-6,10,14-16H,3,7-9,11H2,1-2H3.
What are the key properties of N-[1,4-dioxan-2-yl-(3-methylphenyl)methyl]propan-1-amine?
N-[1,4-dioxan-2-yl-(3-methylphenyl)methyl]propan-1-amine has a molecular weight of 249.35 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,4-dioxan-2-yl-(3-methylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 65352691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).