2-chloro-N-ethyl-N-[(5-methyloxolan-2-yl)methyl]ethanamine

C10H20ClNO — CID 103139740

IUPAC2-chloro-N-ethyl-N-[(5-methyloxolan-2-yl)methyl]ethanamine
SMILESCCN(CCCl)CC1CCC(C)O1
InChIInChI=1S/C10H20ClNO/c1-3-12(7-6-11)8-10-5-4-9(2)13-10/h9-10H,3-8H2,1-2H3
InChIKeyPORUEBCNRVRPPL-UHFFFAOYSA-N
MW205.73 g/mol
LogP2.11
Rot. Bonds5

About 2-chloro-N-ethyl-N-[(5-methyloxolan-2-yl)methyl]ethanamine

2-chloro-N-ethyl-N-[(5-methyloxolan-2-yl)methyl]ethanamine (PubChem CID 103139740) has the molecular formula C10H20ClNO and a molecular weight of 205.73 g/mol. Its IUPAC name is 2-chloro-N-ethyl-N-[(5-methyloxolan-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-chloro-N-ethyl-N-[(5-methyloxolan-2-yl)methyl]ethanamine
PubChem CID103139740
Molecular FormulaC10H20ClNO
Molecular Weight205.73 g/mol
Exact Mass205.12
IUPAC Name2-chloro-N-ethyl-N-[(5-methyloxolan-2-yl)methyl]ethanamine
SMILESCCN(CCCl)CC1CCC(C)O1
InChIInChI=1S/C10H20ClNO/c1-3-12(7-6-11)8-10-5-4-9(2)13-10/h9-10H,3-8H2,1-2H3
InChIKeyPORUEBCNRVRPPL-UHFFFAOYSA-N
XLogP2.11
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.73
LogP ≤ 52.11
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

N-(2-chloroethyl)-N-[(5-methyloxolan-2-yl)methyl]butan-1-amine
CID 103139726
N-(2-chloroethyl)-N-[(5-methyloxolan-2-yl)methyl]cyclopropanamine
CID 103139756
N-[(5-methyloxolan-2-yl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 82837967
N'-(2-methoxyethyl)-N'-[(5-methyloxolan-2-yl)methyl]propane-1,3-diamine
CID 103133649
5-[[ethyl(2-hydroxyethyl)amino]methyl]oxolane-2-carboxylic acid
CID 62300641
N,N,N'-triethyl-N'-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]propane-1,3-diamine
CID 102997663
2-[(5-methyloxolan-2-yl)methyl-pentan-3-ylamino]ethanol
CID 103137601
1-bromo-N,2-dimethyl-N-[(5-methyloxolan-2-yl)methyl]propan-2-amine
CID 103139985
2-[(2-amino-2-oxoethyl)-[(5-methyloxolan-2-yl)methyl]amino]acetic acid
CID 107440730
N-methyl-N-[(5-methyloxolan-2-yl)methyl]methanesulfonamide
CID 130659174
4-[methyl-[(5-methyloxolan-2-yl)methyl]amino]cyclohexan-1-one
CID 103134322
[(2R,5R)-5-methyloxolan-2-yl]methanamine
CID 124512926

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-N-[(5-methyloxolan-2-yl)methyl]ethanamine?
The IUPAC name of 2-chloro-N-ethyl-N-[(5-methyloxolan-2-yl)methyl]ethanamine (CID 103139740) is 2-chloro-N-ethyl-N-[(5-methyloxolan-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-chloro-N-ethyl-N-[(5-methyloxolan-2-yl)methyl]ethanamine?
The canonical SMILES for 2-chloro-N-ethyl-N-[(5-methyloxolan-2-yl)methyl]ethanamine is CCN(CCCl)CC1CCC(C)O1.
What is the InChIKey of 2-chloro-N-ethyl-N-[(5-methyloxolan-2-yl)methyl]ethanamine?
The InChIKey is PORUEBCNRVRPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO/c1-3-12(7-6-11)8-10-5-4-9(2)13-10/h9-10H,3-8H2,1-2H3.
What are the key properties of 2-chloro-N-ethyl-N-[(5-methyloxolan-2-yl)methyl]ethanamine?
2-chloro-N-ethyl-N-[(5-methyloxolan-2-yl)methyl]ethanamine has a molecular weight of 205.73 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-N-[(5-methyloxolan-2-yl)methyl]ethanamine is sourced from PubChem (CID 103139740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).