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

C7H14ClNO — CID 94218416

IUPAC2-chloro-N-[[(2S)-oxolan-2-yl]methyl]ethanamine
SMILESClCCNC[C@@H]1CCCO1
InChIInChI=1S/C7H14ClNO/c8-3-4-9-6-7-2-1-5-10-7/h7,9H,1-6H2/t7-/m0/s1
InChIKeyYMGMWITWOJUHJA-ZETCQYMHSA-N
MW163.65 g/mol
LogP0.99
Rot. Bonds4

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

2-chloro-N-[[(2S)-oxolan-2-yl]methyl]ethanamine (PubChem CID 94218416) has the molecular formula C7H14ClNO and a molecular weight of 163.65 g/mol. Its IUPAC name is 2-chloro-N-[[(2S)-oxolan-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-chloro-N-[[(2S)-oxolan-2-yl]methyl]ethanamine
PubChem CID94218416
Molecular FormulaC7H14ClNO
Molecular Weight163.65 g/mol
Exact Mass163.08
IUPAC Name2-chloro-N-[[(2S)-oxolan-2-yl]methyl]ethanamine
SMILESClCCNC[C@@H]1CCCO1
InChIInChI=1S/C7H14ClNO/c8-3-4-9-6-7-2-1-5-10-7/h7,9H,1-6H2/t7-/m0/s1
InChIKeyYMGMWITWOJUHJA-ZETCQYMHSA-N
XLogP0.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.65
LogP ≤ 50.99
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[(2S)-oxolan-2-yl]methyl]ethanamine?
The IUPAC name of 2-chloro-N-[[(2S)-oxolan-2-yl]methyl]ethanamine (CID 94218416) is 2-chloro-N-[[(2S)-oxolan-2-yl]methyl]ethanamine.
What is the SMILES notation for 2-chloro-N-[[(2S)-oxolan-2-yl]methyl]ethanamine?
The canonical SMILES for 2-chloro-N-[[(2S)-oxolan-2-yl]methyl]ethanamine is ClCCNC[C@@H]1CCCO1.
What is the InChIKey of 2-chloro-N-[[(2S)-oxolan-2-yl]methyl]ethanamine?
The InChIKey is YMGMWITWOJUHJA-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H14ClNO/c8-3-4-9-6-7-2-1-5-10-7/h7,9H,1-6H2/t7-/m0/s1.
What are the key properties of 2-chloro-N-[[(2S)-oxolan-2-yl]methyl]ethanamine?
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]ethanamine has a molecular weight of 163.65 g/mol, XLogP of 0.99, 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)-oxolan-2-yl]methyl]ethanamine is sourced from PubChem (CID 94218416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).