(4-chlorophenyl)-(oxolan-3-yl)methanamine

C11H14ClNO — CID 61271782

IUPAC(4-chlorophenyl)-(oxolan-3-yl)methanamine
SMILESNC(c1ccc(Cl)cc1)C1CCOC1
InChIInChI=1S/C11H14ClNO/c12-10-3-1-8(2-4-10)11(13)9-5-6-14-7-9/h1-4,9,11H,5-7,13H2
InChIKeyBNJICPSSJZQIOE-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.38
Rot. Bonds2

About (4-chlorophenyl)-(oxolan-3-yl)methanamine

(4-chlorophenyl)-(oxolan-3-yl)methanamine (PubChem CID 61271782) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is (4-chlorophenyl)-(oxolan-3-yl)methanamine.

Molecular Properties

Compound Name(4-chlorophenyl)-(oxolan-3-yl)methanamine
PubChem CID61271782
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name(4-chlorophenyl)-(oxolan-3-yl)methanamine
SMILESNC(c1ccc(Cl)cc1)C1CCOC1
InChIInChI=1S/C11H14ClNO/c12-10-3-1-8(2-4-10)11(13)9-5-6-14-7-9/h1-4,9,11H,5-7,13H2
InChIKeyBNJICPSSJZQIOE-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(oxolan-3-yl)methanamine?
The IUPAC name of (4-chlorophenyl)-(oxolan-3-yl)methanamine (CID 61271782) is (4-chlorophenyl)-(oxolan-3-yl)methanamine.
What is the SMILES notation for (4-chlorophenyl)-(oxolan-3-yl)methanamine?
The canonical SMILES for (4-chlorophenyl)-(oxolan-3-yl)methanamine is NC(c1ccc(Cl)cc1)C1CCOC1.
What is the InChIKey of (4-chlorophenyl)-(oxolan-3-yl)methanamine?
The InChIKey is BNJICPSSJZQIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c12-10-3-1-8(2-4-10)11(13)9-5-6-14-7-9/h1-4,9,11H,5-7,13H2.
What are the key properties of (4-chlorophenyl)-(oxolan-3-yl)methanamine?
(4-chlorophenyl)-(oxolan-3-yl)methanamine has a molecular weight of 211.69 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(oxolan-3-yl)methanamine is sourced from PubChem (CID 61271782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).