2-chloro-3-methoxy-N-(oxan-2-ylmethyl)propan-1-amine

C10H20ClNO2 — CID 65023581

IUPAC2-chloro-3-methoxy-N-(oxan-2-ylmethyl)propan-1-amine
SMILESCOCC(Cl)CNCC1CCCCO1
InChIInChI=1S/C10H20ClNO2/c1-13-8-9(11)6-12-7-10-4-2-3-5-14-10/h9-10,12H,2-8H2,1H3
InChIKeyXNFFCYLPLWZQME-UHFFFAOYSA-N
MW221.73 g/mol
LogP1.40
Rot. Bonds6

About 2-chloro-3-methoxy-N-(oxan-2-ylmethyl)propan-1-amine

2-chloro-3-methoxy-N-(oxan-2-ylmethyl)propan-1-amine (PubChem CID 65023581) has the molecular formula C10H20ClNO2 and a molecular weight of 221.73 g/mol. Its IUPAC name is 2-chloro-3-methoxy-N-(oxan-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-chloro-3-methoxy-N-(oxan-2-ylmethyl)propan-1-amine
PubChem CID65023581
Molecular FormulaC10H20ClNO2
Molecular Weight221.73 g/mol
Exact Mass221.12
IUPAC Name2-chloro-3-methoxy-N-(oxan-2-ylmethyl)propan-1-amine
SMILESCOCC(Cl)CNCC1CCCCO1
InChIInChI=1S/C10H20ClNO2/c1-13-8-9(11)6-12-7-10-4-2-3-5-14-10/h9-10,12H,2-8H2,1H3
InChIKeyXNFFCYLPLWZQME-UHFFFAOYSA-N
XLogP1.40
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-3-methoxy-N-(oxan-2-ylmethyl)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

1-methoxy-N-(oxan-2-ylmethyl)propan-2-amine
CID 43403662
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-(oxolan-2-ylmethyl)propan-1-amine
CID 104567121
(2R)-1-methoxy-N-[[(2S)-oxolan-2-yl]methyl]propan-2-amine
CID 28571154
N'-(2-methoxyethyl)-N'-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine
CID 62844681
N-methoxy-1-(oxan-2-yl)methanamine
CID 60702614
N-(oxan-2-ylmethyl)propan-1-amine
CID 13288217
2-(1,3-dimethoxypropan-2-yloxymethyl)oxane
CID 58593438
N-[(5-methyloxolan-2-yl)methyl]-1-(oxan-2-yl)methanamine
CID 82835456
1-fluoro-3-methoxy-N-(oxolan-2-ylmethyl)propan-2-amine
CID 83818042
3-ethoxy-N-(oxan-2-ylmethyl)propan-1-amine
CID 43403648
O-methyl 2-(oxan-2-yl)ethanethioate
CID 19593899
2-cyclopentyloxy-N-(oxan-2-ylmethyl)ethanamine
CID 63827330

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-methoxy-N-(oxan-2-ylmethyl)propan-1-amine?
The IUPAC name of 2-chloro-3-methoxy-N-(oxan-2-ylmethyl)propan-1-amine (CID 65023581) is 2-chloro-3-methoxy-N-(oxan-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-chloro-3-methoxy-N-(oxan-2-ylmethyl)propan-1-amine?
The canonical SMILES for 2-chloro-3-methoxy-N-(oxan-2-ylmethyl)propan-1-amine is COCC(Cl)CNCC1CCCCO1.
What is the InChIKey of 2-chloro-3-methoxy-N-(oxan-2-ylmethyl)propan-1-amine?
The InChIKey is XNFFCYLPLWZQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO2/c1-13-8-9(11)6-12-7-10-4-2-3-5-14-10/h9-10,12H,2-8H2,1H3.
What are the key properties of 2-chloro-3-methoxy-N-(oxan-2-ylmethyl)propan-1-amine?
2-chloro-3-methoxy-N-(oxan-2-ylmethyl)propan-1-amine has a molecular weight of 221.73 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-methoxy-N-(oxan-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 65023581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).