N-[(4-chlorophenyl)methyl]-2-(1,3-dioxan-2-yl)-N-methylethanamine

C14H20ClNO2 — CID 66472313

IUPACN-[(4-chlorophenyl)methyl]-2-(1,3-dioxan-2-yl)-N-methylethanamine
SMILESCN(CCC1OCCCO1)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO2/c1-16(8-7-14-17-9-2-10-18-14)11-12-3-5-13(15)6-4-12/h3-6,14H,2,7-11H2,1H3
InChIKeyQPSSEZOHLRSZFE-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.92
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-2-(1,3-dioxan-2-yl)-N-methylethanamine

N-[(4-chlorophenyl)methyl]-2-(1,3-dioxan-2-yl)-N-methylethanamine (PubChem CID 66472313) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(1,3-dioxan-2-yl)-N-methylethanamine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(1,3-dioxan-2-yl)-N-methylethanamine
PubChem CID66472313
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(1,3-dioxan-2-yl)-N-methylethanamine
SMILESCN(CCC1OCCCO1)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO2/c1-16(8-7-14-17-9-2-10-18-14)11-12-3-5-13(15)6-4-12/h3-6,14H,2,7-11H2,1H3
InChIKeyQPSSEZOHLRSZFE-UHFFFAOYSA-N
XLogP2.92
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(4-chlorophenyl)methyl]-2-(1,3-dioxan-2-yl)-N-methylethanamine 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-(1,3-dioxan-2-yl)-N-[(4-fluorophenyl)methyl]-N-methylethanamine
CID 66473524
N,N'-bis[(4-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 10472232
N'-[(4-chlorophenyl)methyl]-N'-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 62557923
2-[2-[(4-chlorophenyl)methyl-methylamino]ethyl]cyclopentan-1-one
CID 79569131
[(4-chlorophenyl)methyl-methylamino]methanol
CID 115229095
3-chloro-N-[(4-chlorophenyl)methyl]-N-methylpropan-1-amine
CID 61414656
N-[(4-chlorophenyl)methyl]-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide
CID 126788961
N-[(4-chlorophenyl)methyl]-N,3,3-trimethylbutan-1-amine
CID 71037021
4-[(4-chlorophenyl)methyl-methylamino]butanamide
CID 14627807
3-[2-(1,3-dioxan-2-yl)ethyl-methylamino]-N-methylpropanamide
CID 103746441
N-[(3-chloro-4-methoxyphenyl)methyl]-N-methyl-2-[(2R)-oxan-2-yl]ethanamine
CID 99931540
1-[(4-chlorophenyl)methyl]-1-methyl-3-[1-(oxolan-2-yl)ethyl]urea
CID 134006670

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(1,3-dioxan-2-yl)-N-methylethanamine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(1,3-dioxan-2-yl)-N-methylethanamine (CID 66472313) is N-[(4-chlorophenyl)methyl]-2-(1,3-dioxan-2-yl)-N-methylethanamine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(1,3-dioxan-2-yl)-N-methylethanamine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(1,3-dioxan-2-yl)-N-methylethanamine is CN(CCC1OCCCO1)Cc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(1,3-dioxan-2-yl)-N-methylethanamine?
The InChIKey is QPSSEZOHLRSZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-16(8-7-14-17-9-2-10-18-14)11-12-3-5-13(15)6-4-12/h3-6,14H,2,7-11H2,1H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(1,3-dioxan-2-yl)-N-methylethanamine?
N-[(4-chlorophenyl)methyl]-2-(1,3-dioxan-2-yl)-N-methylethanamine has a molecular weight of 269.77 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(1,3-dioxan-2-yl)-N-methylethanamine is sourced from PubChem (CID 66472313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).