3-chloro-N-(2-methoxyethyl)-N-propan-2-ylpropan-1-amine

C9H20ClNO — CID 63389217

IUPAC3-chloro-N-(2-methoxyethyl)-N-propan-2-ylpropan-1-amine
SMILESCOCCN(CCCCl)C(C)C
InChIInChI=1S/C9H20ClNO/c1-9(2)11(6-4-5-10)7-8-12-3/h9H,4-8H2,1-3H3
InChIKeyHOSWYVWHVCRMBT-UHFFFAOYSA-N
MW193.72 g/mol
LogP1.97
Rot. Bonds7

About 3-chloro-N-(2-methoxyethyl)-N-propan-2-ylpropan-1-amine

3-chloro-N-(2-methoxyethyl)-N-propan-2-ylpropan-1-amine (PubChem CID 63389217) has the molecular formula C9H20ClNO and a molecular weight of 193.72 g/mol. Its IUPAC name is 3-chloro-N-(2-methoxyethyl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-chloro-N-(2-methoxyethyl)-N-propan-2-ylpropan-1-amine
PubChem CID63389217
Molecular FormulaC9H20ClNO
Molecular Weight193.72 g/mol
Exact Mass193.12
IUPAC Name3-chloro-N-(2-methoxyethyl)-N-propan-2-ylpropan-1-amine
SMILESCOCCN(CCCCl)C(C)C
InChIInChI=1S/C9H20ClNO/c1-9(2)11(6-4-5-10)7-8-12-3/h9H,4-8H2,1-3H3
InChIKeyHOSWYVWHVCRMBT-UHFFFAOYSA-N
XLogP1.97
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.72
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-(2-methoxyethyl)-N-propan-2-ylpentan-1-amine
CID 82960772
3-methoxy-N-(2-methoxyethyl)-N-propan-2-ylpropan-1-amine
CID 177187385
N-(2-chloroethyl)-3-(2-methoxyethoxy)-N-propan-2-ylpropan-1-amine
CID 103413010
N'-(2-methoxyethyl)-N'-propan-2-ylpropane-1,3-diamine
CID 43137377
4-[2-methoxyethyl(propan-2-yl)amino]butane-1-thiol
CID 82965257
N-(3-chloropropyl)-N-propan-2-yldecan-1-amine
CID 55183302
2-[4-methoxybutyl(propan-2-yl)amino]ethanol
CID 115685977
N'-(2-methoxyethyl)-3,3-dimethyl-N'-propan-2-ylhexane-1,6-diamine
CID 82951497
5-[2-methoxyethyl(propan-2-yl)amino]pentanethioamide
CID 82951100
4-[2-methoxyethyl(propan-2-yl)amino]butan-2-ol
CID 82961213
6-chloro-N-propan-2-yl-N-propylhexan-1-amine
CID 62227256
N'-(2-methoxyethyl)-N-(3-methoxypropyl)-N'-propan-2-ylethane-1,2-diamine
CID 82952747

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-methoxyethyl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-chloro-N-(2-methoxyethyl)-N-propan-2-ylpropan-1-amine (CID 63389217) is 3-chloro-N-(2-methoxyethyl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-chloro-N-(2-methoxyethyl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-chloro-N-(2-methoxyethyl)-N-propan-2-ylpropan-1-amine is COCCN(CCCCl)C(C)C.
What is the InChIKey of 3-chloro-N-(2-methoxyethyl)-N-propan-2-ylpropan-1-amine?
The InChIKey is HOSWYVWHVCRMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20ClNO/c1-9(2)11(6-4-5-10)7-8-12-3/h9H,4-8H2,1-3H3.
What are the key properties of 3-chloro-N-(2-methoxyethyl)-N-propan-2-ylpropan-1-amine?
3-chloro-N-(2-methoxyethyl)-N-propan-2-ylpropan-1-amine has a molecular weight of 193.72 g/mol, XLogP of 1.97, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-methoxyethyl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 63389217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).