N-phenyloxan-4-amine;hydrochloride

C11H16ClNO — CID 53439352

IUPACN-phenyloxan-4-amine;hydrochloride
SMILESCl.c1ccc(NC2CCOCC2)cc1
InChIInChI=1S/C11H15NO.ClH/c1-2-4-10(5-3-1)12-11-6-8-13-9-7-11;/h1-5,11-12H,6-9H2;1H
InChIKeyZYSNIOLYTCTGSQ-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.70
Rot. Bonds2

About N-phenyloxan-4-amine;hydrochloride

N-phenyloxan-4-amine;hydrochloride (PubChem CID 53439352) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is N-phenyloxan-4-amine;hydrochloride.

Molecular Properties

Compound NameN-phenyloxan-4-amine;hydrochloride
PubChem CID53439352
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC NameN-phenyloxan-4-amine;hydrochloride
SMILESCl.c1ccc(NC2CCOCC2)cc1
InChIInChI=1S/C11H15NO.ClH/c1-2-4-10(5-3-1)12-11-6-8-13-9-7-11;/h1-5,11-12H,6-9H2;1H
InChIKeyZYSNIOLYTCTGSQ-UHFFFAOYSA-N
XLogP2.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-phenyloxan-4-amine;hydrochloride?
The IUPAC name of N-phenyloxan-4-amine;hydrochloride (CID 53439352) is N-phenyloxan-4-amine;hydrochloride.
What is the SMILES notation for N-phenyloxan-4-amine;hydrochloride?
The canonical SMILES for N-phenyloxan-4-amine;hydrochloride is Cl.c1ccc(NC2CCOCC2)cc1.
What is the InChIKey of N-phenyloxan-4-amine;hydrochloride?
The InChIKey is ZYSNIOLYTCTGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO.ClH/c1-2-4-10(5-3-1)12-11-6-8-13-9-7-11;/h1-5,11-12H,6-9H2;1H.
What are the key properties of N-phenyloxan-4-amine;hydrochloride?
N-phenyloxan-4-amine;hydrochloride has a molecular weight of 213.71 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyloxan-4-amine;hydrochloride is sourced from PubChem (CID 53439352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).