2-chloro-N-[[(2S)-4-methyloxolan-2-yl]methyl]ethanamine

C8H16ClNO — CID 131968045

IUPAC2-chloro-N-[[(2S)-4-methyloxolan-2-yl]methyl]ethanamine
SMILESCC1CO[C@H](CNCCCl)C1
InChIInChI=1S/C8H16ClNO/c1-7-4-8(11-6-7)5-10-3-2-9/h7-8,10H,2-6H2,1H3/t7?,8-/m0/s1
InChIKeyOGXXUEOQVMUQJJ-MQWKRIRWSA-N
MW177.67 g/mol
LogP1.24
Rot. Bonds4

About 2-chloro-N-[[(2S)-4-methyloxolan-2-yl]methyl]ethanamine

2-chloro-N-[[(2S)-4-methyloxolan-2-yl]methyl]ethanamine (PubChem CID 131968045) has the molecular formula C8H16ClNO and a molecular weight of 177.67 g/mol. Its IUPAC name is 2-chloro-N-[[(2S)-4-methyloxolan-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-chloro-N-[[(2S)-4-methyloxolan-2-yl]methyl]ethanamine
PubChem CID131968045
Molecular FormulaC8H16ClNO
Molecular Weight177.67 g/mol
Exact Mass177.09
IUPAC Name2-chloro-N-[[(2S)-4-methyloxolan-2-yl]methyl]ethanamine
SMILESCC1CO[C@H](CNCCCl)C1
InChIInChI=1S/C8H16ClNO/c1-7-4-8(11-6-7)5-10-3-2-9/h7-8,10H,2-6H2,1H3/t7?,8-/m0/s1
InChIKeyOGXXUEOQVMUQJJ-MQWKRIRWSA-N
XLogP1.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.67
LogP ≤ 51.24
H-Bond Donors ≤ 51
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

Furfurylamine, tetrahydro-N,N-bis(2-chloroethyl)-, hydrochloride
CID 49648
(2-Methylpropyl)[(oxolan-2-yl)methyl]amine
CID 14326291
2-methyl-N-[[(2S)-oxolan-2-yl]methyl]propan-1-amine
CID 28488080
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propan-1-amine
CID 28488082
3-methyl-N-[[(2R)-oxolan-2-yl]methyl]butan-1-amine
CID 28488098
(4-Methylpentan-2-yl)[(oxolan-2-yl)methyl]amine
CID 43196280
2-chloro-N-[[(2S,5R)-3-oxabicyclo[3.1.0]hexan-2-yl]methyl]ethanamine
CID 90065447
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]ethanamine
CID 94218416
2-chloro-N-[[(2S,4S)-4-methyloxolan-2-yl]methyl]ethanamine
CID 131968025
2-methyl-N-[(4-methyloxolan-2-yl)methyl]propan-2-amine
CID 135217007
N-[[(4S)-4-methyloxolan-2-yl]methyl]ethanamine
CID 163692050
(2R)-4-methyl-N-[[(2S)-oxolan-2-yl]methyl]pentan-2-amine
CID 28488248

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[(2S)-4-methyloxolan-2-yl]methyl]ethanamine?
The IUPAC name of 2-chloro-N-[[(2S)-4-methyloxolan-2-yl]methyl]ethanamine (CID 131968045) is 2-chloro-N-[[(2S)-4-methyloxolan-2-yl]methyl]ethanamine.
What is the SMILES notation for 2-chloro-N-[[(2S)-4-methyloxolan-2-yl]methyl]ethanamine?
The canonical SMILES for 2-chloro-N-[[(2S)-4-methyloxolan-2-yl]methyl]ethanamine is CC1CO[C@H](CNCCCl)C1.
What is the InChIKey of 2-chloro-N-[[(2S)-4-methyloxolan-2-yl]methyl]ethanamine?
The InChIKey is OGXXUEOQVMUQJJ-MQWKRIRWSA-N. The full InChI is InChI=1S/C8H16ClNO/c1-7-4-8(11-6-7)5-10-3-2-9/h7-8,10H,2-6H2,1H3/t7?,8-/m0/s1.
What are the key properties of 2-chloro-N-[[(2S)-4-methyloxolan-2-yl]methyl]ethanamine?
2-chloro-N-[[(2S)-4-methyloxolan-2-yl]methyl]ethanamine has a molecular weight of 177.67 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[(2S)-4-methyloxolan-2-yl]methyl]ethanamine is sourced from PubChem (CID 131968045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).