4-chloro-N-[2-(3-methoxypropoxy)ethyl]butan-2-amine

C10H22ClNO2 — CID 103184040

IUPAC4-chloro-N-[2-(3-methoxypropoxy)ethyl]butan-2-amine
SMILESCOCCCOCCNC(C)CCCl
InChIInChI=1S/C10H22ClNO2/c1-10(4-5-11)12-6-9-14-8-3-7-13-2/h10,12H,3-9H2,1-2H3
InChIKeyLQNDARVTHFOLSY-UHFFFAOYSA-N
MW223.74 g/mol
LogP1.65
Rot. Bonds10

About 4-chloro-N-[2-(3-methoxypropoxy)ethyl]butan-2-amine

4-chloro-N-[2-(3-methoxypropoxy)ethyl]butan-2-amine (PubChem CID 103184040) has the molecular formula C10H22ClNO2 and a molecular weight of 223.74 g/mol. Its IUPAC name is 4-chloro-N-[2-(3-methoxypropoxy)ethyl]butan-2-amine.

Molecular Properties

Compound Name4-chloro-N-[2-(3-methoxypropoxy)ethyl]butan-2-amine
PubChem CID103184040
Molecular FormulaC10H22ClNO2
Molecular Weight223.74 g/mol
Exact Mass223.13
IUPAC Name4-chloro-N-[2-(3-methoxypropoxy)ethyl]butan-2-amine
SMILESCOCCCOCCNC(C)CCCl
InChIInChI=1S/C10H22ClNO2/c1-10(4-5-11)12-6-9-14-8-3-7-13-2/h10,12H,3-9H2,1-2H3
InChIKeyLQNDARVTHFOLSY-UHFFFAOYSA-N
XLogP1.65
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.74
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-butoxyethyl)-4-chlorobutan-2-amine
CID 83186904
N-[2-(3-methoxypropoxy)ethyl]hexan-2-amine
CID 103178889
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-5-chloropentan-2-amine
CID 104567239
1-N,1-N-diethyl-2-N-[2-(3-methoxypropoxy)ethyl]propane-1,2-diamine
CID 103178871
4-(furan-2-yl)-N-[2-(3-methoxypropoxy)ethyl]butan-2-amine
CID 103178791
4-chloro-1-methoxy-N-[2-(2-methoxyethoxy)ethyl]butan-2-amine
CID 106152336
N-[2-(3-methoxypropoxy)ethyl]but-3-yn-2-amine
CID 103179557
N-[3-(2-methoxyethoxy)propyl]-5-methylhexan-2-amine
CID 43206916
N-[2-(3-methoxypropoxy)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 103178774
3-(2-chloroethoxy)-N-[2-(3-methoxypropoxy)ethyl]propan-1-amine
CID 106306027
4-bromo-N-[3-(2-methoxyethoxy)propyl]butan-2-amine
CID 103413141
N-(3-methoxypropyl)-5-methylhexan-2-amine
CID 43205131

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(3-methoxypropoxy)ethyl]butan-2-amine?
The IUPAC name of 4-chloro-N-[2-(3-methoxypropoxy)ethyl]butan-2-amine (CID 103184040) is 4-chloro-N-[2-(3-methoxypropoxy)ethyl]butan-2-amine.
What is the SMILES notation for 4-chloro-N-[2-(3-methoxypropoxy)ethyl]butan-2-amine?
The canonical SMILES for 4-chloro-N-[2-(3-methoxypropoxy)ethyl]butan-2-amine is COCCCOCCNC(C)CCCl.
What is the InChIKey of 4-chloro-N-[2-(3-methoxypropoxy)ethyl]butan-2-amine?
The InChIKey is LQNDARVTHFOLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22ClNO2/c1-10(4-5-11)12-6-9-14-8-3-7-13-2/h10,12H,3-9H2,1-2H3.
What are the key properties of 4-chloro-N-[2-(3-methoxypropoxy)ethyl]butan-2-amine?
4-chloro-N-[2-(3-methoxypropoxy)ethyl]butan-2-amine has a molecular weight of 223.74 g/mol, XLogP of 1.65, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(3-methoxypropoxy)ethyl]butan-2-amine is sourced from PubChem (CID 103184040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).