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

C12H16ClNO2 — CID 60961630

IUPACN-[(3-chlorophenyl)methyl]-1-(1,4-dioxan-2-yl)methanamine
SMILESClc1cccc(CNCC2COCCO2)c1
InChIInChI=1S/C12H16ClNO2/c13-11-3-1-2-10(6-11)7-14-8-12-9-15-4-5-16-12/h1-3,6,12,14H,4-5,7-9H2
InChIKeyFZIPMVCCMKBCBZ-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.85
Rot. Bonds4

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

N-[(3-chlorophenyl)methyl]-1-(1,4-dioxan-2-yl)methanamine (PubChem CID 60961630) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-1-(1,4-dioxan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-1-(1,4-dioxan-2-yl)methanamine
PubChem CID60961630
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC NameN-[(3-chlorophenyl)methyl]-1-(1,4-dioxan-2-yl)methanamine
SMILESClc1cccc(CNCC2COCCO2)c1
InChIInChI=1S/C12H16ClNO2/c13-11-3-1-2-10(6-11)7-14-8-12-9-15-4-5-16-12/h1-3,6,12,14H,4-5,7-9H2
InChIKeyFZIPMVCCMKBCBZ-UHFFFAOYSA-N
XLogP1.85
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3-chlorophenyl)methyl]-1-(1,4-dioxan-2-yl)methanamine 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-dichlorophenyl)methyl]-1-(1,4-dioxan-2-yl)methanamine
CID 54893724
3-[(1,4-dioxan-2-ylmethylamino)methyl]benzonitrile
CID 54893348
N-[(5-chloro-2-fluorophenyl)methyl]-1-(1,4-dioxan-2-yl)methanamine
CID 115761843
1-(1,4-dioxan-2-yl)-N-[(4-iodophenyl)methyl]methanamine
CID 65477569
2-bromo-4-[(1,4-dioxan-2-ylmethylamino)methyl]phenol
CID 60962286
1-[(3-chlorophenyl)methyl]-3-(1,4-dioxan-2-ylmethyl)-1,2-dimethylguanidine;hydroiodide
CID 119132025
1-(3-chlorophenyl)-N-(1,4-dioxan-2-ylmethyl)ethanamine
CID 54907396
1-(1,4-dioxan-2-yl)-N-(1H-pyrrol-3-ylmethyl)methanamine
CID 66408972
N-[(3-chlorophenyl)methyl]-3-[[(2S)-1,4-dioxan-2-yl]methyl-methylamino]propanamide
CID 124750493
4-[(1,4-dioxan-2-ylmethylamino)methyl]-N,N-dimethylaniline
CID 54893581
N-(1,4-dioxan-2-ylmethyl)-3-(ethylaminomethyl)benzenesulfonamide
CID 106016635
N-[(2,3-difluorophenyl)methyl]-1-(1,4-dioxan-2-yl)methanamine
CID 61024974

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-1-(1,4-dioxan-2-yl)methanamine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-1-(1,4-dioxan-2-yl)methanamine (CID 60961630) is N-[(3-chlorophenyl)methyl]-1-(1,4-dioxan-2-yl)methanamine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-1-(1,4-dioxan-2-yl)methanamine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-1-(1,4-dioxan-2-yl)methanamine is Clc1cccc(CNCC2COCCO2)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-1-(1,4-dioxan-2-yl)methanamine?
The InChIKey is FZIPMVCCMKBCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c13-11-3-1-2-10(6-11)7-14-8-12-9-15-4-5-16-12/h1-3,6,12,14H,4-5,7-9H2.
What are the key properties of N-[(3-chlorophenyl)methyl]-1-(1,4-dioxan-2-yl)methanamine?
N-[(3-chlorophenyl)methyl]-1-(1,4-dioxan-2-yl)methanamine has a molecular weight of 241.72 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-1-(1,4-dioxan-2-yl)methanamine is sourced from PubChem (CID 60961630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).