[3-chloro-4-(oxolan-3-yl)phenyl]methanamine

C11H14ClNO — CID 83835176

IUPAC[3-chloro-4-(oxolan-3-yl)phenyl]methanamine
SMILESNCc1ccc(C2CCOC2)c(Cl)c1
InChIInChI=1S/C11H14ClNO/c12-11-5-8(6-13)1-2-10(11)9-3-4-14-7-9/h1-2,5,9H,3-4,6-7,13H2
InChIKeyPOCKLEPXNCYUHX-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.30
Rot. Bonds2

About [3-chloro-4-(oxolan-3-yl)phenyl]methanamine

[3-chloro-4-(oxolan-3-yl)phenyl]methanamine (PubChem CID 83835176) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is [3-chloro-4-(oxolan-3-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-chloro-4-(oxolan-3-yl)phenyl]methanamine
PubChem CID83835176
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name[3-chloro-4-(oxolan-3-yl)phenyl]methanamine
SMILESNCc1ccc(C2CCOC2)c(Cl)c1
InChIInChI=1S/C11H14ClNO/c12-11-5-8(6-13)1-2-10(11)9-3-4-14-7-9/h1-2,5,9H,3-4,6-7,13H2
InChIKeyPOCKLEPXNCYUHX-UHFFFAOYSA-N
XLogP2.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-(oxolan-3-yl)phenyl]methanamine?
The IUPAC name of [3-chloro-4-(oxolan-3-yl)phenyl]methanamine (CID 83835176) is [3-chloro-4-(oxolan-3-yl)phenyl]methanamine.
What is the SMILES notation for [3-chloro-4-(oxolan-3-yl)phenyl]methanamine?
The canonical SMILES for [3-chloro-4-(oxolan-3-yl)phenyl]methanamine is NCc1ccc(C2CCOC2)c(Cl)c1.
What is the InChIKey of [3-chloro-4-(oxolan-3-yl)phenyl]methanamine?
The InChIKey is POCKLEPXNCYUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c12-11-5-8(6-13)1-2-10(11)9-3-4-14-7-9/h1-2,5,9H,3-4,6-7,13H2.
What are the key properties of [3-chloro-4-(oxolan-3-yl)phenyl]methanamine?
[3-chloro-4-(oxolan-3-yl)phenyl]methanamine has a molecular weight of 211.69 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-(oxolan-3-yl)phenyl]methanamine is sourced from PubChem (CID 83835176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).