2-chloro-3-methoxy-N-methyl-N-(2-propoxyethyl)propan-1-amine

C10H22ClNO2 — CID 106457635

IUPAC2-chloro-3-methoxy-N-methyl-N-(2-propoxyethyl)propan-1-amine
SMILESCCCOCCN(C)CC(Cl)COC
InChIInChI=1S/C10H22ClNO2/c1-4-6-14-7-5-12(2)8-10(11)9-13-3/h10H,4-9H2,1-3H3
InChIKeyDMKGUJKYXXBHDW-UHFFFAOYSA-N
MW223.74 g/mol
LogP1.60
Rot. Bonds9

About 2-chloro-3-methoxy-N-methyl-N-(2-propoxyethyl)propan-1-amine

2-chloro-3-methoxy-N-methyl-N-(2-propoxyethyl)propan-1-amine (PubChem CID 106457635) has the molecular formula C10H22ClNO2 and a molecular weight of 223.74 g/mol. Its IUPAC name is 2-chloro-3-methoxy-N-methyl-N-(2-propoxyethyl)propan-1-amine.

Molecular Properties

Compound Name2-chloro-3-methoxy-N-methyl-N-(2-propoxyethyl)propan-1-amine
PubChem CID106457635
Molecular FormulaC10H22ClNO2
Molecular Weight223.74 g/mol
Exact Mass223.13
IUPAC Name2-chloro-3-methoxy-N-methyl-N-(2-propoxyethyl)propan-1-amine
SMILESCCCOCCN(C)CC(Cl)COC
InChIInChI=1S/C10H22ClNO2/c1-4-6-14-7-5-12(2)8-10(11)9-13-3/h10H,4-9H2,1-3H3
InChIKeyDMKGUJKYXXBHDW-UHFFFAOYSA-N
XLogP1.60
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.74
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-3-methoxy-N-methyl-N-(2-propoxyethyl)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'-(2-chloro-3-methoxypropyl)-N,N,N'-trimethylethane-1,2-diamine
CID 63387619
N-(2-chloro-3-methoxypropyl)-N',N'-diethyl-N-methylethane-1,2-diamine
CID 107913644
2-chloro-3-methoxy-N-methyl-N-(2-propylsulfonylethyl)propan-1-amine
CID 106730931
N-(2-chloro-3-methoxypropyl)-N,2-dimethylbutan-1-amine
CID 63387954
1-[2-ethoxyethyl(methyl)amino]-3-methoxypropan-2-ol
CID 62013826
2-chloro-N-[(E)-3-chloroprop-2-enyl]-3-methoxy-N-methylpropan-1-amine
CID 107901004
(E)-N-(2-chloro-3-methoxypropyl)-N-methylbut-2-en-1-amine
CID 107897678
2-methoxy-N-methyl-N-[2-[2-(3-methylpentoxy)ethoxy]ethyl]ethanamine
CID 143398421
N,2-dimethyl-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]pentan-1-amine
CID 170062056
N-methoxy-N-methyl-2-propoxyethanamine
CID 148644007
4-[methyl(2-propoxyethyl)amino]butan-2-ol
CID 106456260
1-[methyl-[2-(3-propoxypropoxy)ethyl]amino]pent-3-yn-2-ol
CID 174081464

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-methoxy-N-methyl-N-(2-propoxyethyl)propan-1-amine?
The IUPAC name of 2-chloro-3-methoxy-N-methyl-N-(2-propoxyethyl)propan-1-amine (CID 106457635) is 2-chloro-3-methoxy-N-methyl-N-(2-propoxyethyl)propan-1-amine.
What is the SMILES notation for 2-chloro-3-methoxy-N-methyl-N-(2-propoxyethyl)propan-1-amine?
The canonical SMILES for 2-chloro-3-methoxy-N-methyl-N-(2-propoxyethyl)propan-1-amine is CCCOCCN(C)CC(Cl)COC.
What is the InChIKey of 2-chloro-3-methoxy-N-methyl-N-(2-propoxyethyl)propan-1-amine?
The InChIKey is DMKGUJKYXXBHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22ClNO2/c1-4-6-14-7-5-12(2)8-10(11)9-13-3/h10H,4-9H2,1-3H3.
What are the key properties of 2-chloro-3-methoxy-N-methyl-N-(2-propoxyethyl)propan-1-amine?
2-chloro-3-methoxy-N-methyl-N-(2-propoxyethyl)propan-1-amine has a molecular weight of 223.74 g/mol, XLogP of 1.60, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-methoxy-N-methyl-N-(2-propoxyethyl)propan-1-amine is sourced from PubChem (CID 106457635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).