N-[2-(2-chloroethoxy)ethyl]-1-cyclopropyl-N-methylethanamine

C10H20ClNO — CID 63666476

IUPACN-[2-(2-chloroethoxy)ethyl]-1-cyclopropyl-N-methylethanamine
SMILESCC(C1CC1)N(C)CCOCCCl
InChIInChI=1S/C10H20ClNO/c1-9(10-3-4-10)12(2)6-8-13-7-5-11/h9-10H,3-8H2,1-2H3
InChIKeyBGRVSAYJTAOMTB-UHFFFAOYSA-N
MW205.73 g/mol
LogP1.97
Rot. Bonds7

About N-[2-(2-chloroethoxy)ethyl]-1-cyclopropyl-N-methylethanamine

N-[2-(2-chloroethoxy)ethyl]-1-cyclopropyl-N-methylethanamine (PubChem CID 63666476) has the molecular formula C10H20ClNO and a molecular weight of 205.73 g/mol. Its IUPAC name is N-[2-(2-chloroethoxy)ethyl]-1-cyclopropyl-N-methylethanamine.

Molecular Properties

Compound NameN-[2-(2-chloroethoxy)ethyl]-1-cyclopropyl-N-methylethanamine
PubChem CID63666476
Molecular FormulaC10H20ClNO
Molecular Weight205.73 g/mol
Exact Mass205.12
IUPAC NameN-[2-(2-chloroethoxy)ethyl]-1-cyclopropyl-N-methylethanamine
SMILESCC(C1CC1)N(C)CCOCCCl
InChIInChI=1S/C10H20ClNO/c1-9(10-3-4-10)12(2)6-8-13-7-5-11/h9-10H,3-8H2,1-2H3
InChIKeyBGRVSAYJTAOMTB-UHFFFAOYSA-N
XLogP1.97
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.73
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(2-chloroethoxy)ethyl]-N-methylbutan-2-amine
CID 63666470
3-[2-(2-chloroethoxy)ethyl-methylamino]butanenitrile
CID 63666896
N'-(1-cyclopropylethyl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62575474
1-cyclopropyl-N-ethyl-N-methylethanamine
CID 126664134
2-(2-chloroethoxy)-N,N-dimethylethanamine;hydrochloride
CID 71756551
N-cyclopentyl-N'-(1-cyclopropylethyl)-N'-methylethane-1,2-diamine
CID 60849992
3-[1-cyclopropylethyl(methyl)amino]propanoic acid
CID 43420585
N-[2-(2-chloroethoxy)ethyl]-N-methyl-1-thiophen-2-ylethanamine
CID 63666886
(2S)-1-[1-cyclopropylethyl(methyl)amino]propan-2-ol
CID 103934958
N-[2-[2-(dimethylamino)ethoxy]ethyl]-N-methylpropan-2-amine
CID 170129105
2-[2-[1-cyclopropylethyl(methyl)amino]ethoxy]benzonitrile
CID 43569118
N-(1-cyclopropylethyl)-N,2,2-trimethylpropan-1-amine
CID 77360899

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroethoxy)ethyl]-1-cyclopropyl-N-methylethanamine?
The IUPAC name of N-[2-(2-chloroethoxy)ethyl]-1-cyclopropyl-N-methylethanamine (CID 63666476) is N-[2-(2-chloroethoxy)ethyl]-1-cyclopropyl-N-methylethanamine.
What is the SMILES notation for N-[2-(2-chloroethoxy)ethyl]-1-cyclopropyl-N-methylethanamine?
The canonical SMILES for N-[2-(2-chloroethoxy)ethyl]-1-cyclopropyl-N-methylethanamine is CC(C1CC1)N(C)CCOCCCl.
What is the InChIKey of N-[2-(2-chloroethoxy)ethyl]-1-cyclopropyl-N-methylethanamine?
The InChIKey is BGRVSAYJTAOMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO/c1-9(10-3-4-10)12(2)6-8-13-7-5-11/h9-10H,3-8H2,1-2H3.
What are the key properties of N-[2-(2-chloroethoxy)ethyl]-1-cyclopropyl-N-methylethanamine?
N-[2-(2-chloroethoxy)ethyl]-1-cyclopropyl-N-methylethanamine has a molecular weight of 205.73 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 N-[2-(2-chloroethoxy)ethyl]-1-cyclopropyl-N-methylethanamine is sourced from PubChem (CID 63666476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).