N-(2-phenylethyl)-2,6-di(propan-2-yl)oxan-4-amine;hydrochloride

C19H32ClNO — CID 134693407

IUPACN-(2-phenylethyl)-2,6-di(propan-2-yl)oxan-4-amine;hydrochloride
SMILESCC(C)C1CC(NCCc2ccccc2)CC(C(C)C)O1.Cl
InChIInChI=1S/C19H31NO.ClH/c1-14(2)18-12-17(13-19(21-18)15(3)4)20-11-10-16-8-6-5-7-9-16;/h5-9,14-15,17-20H,10-13H2,1-4H3;1H
InChIKeyGXFCUZYPQZGBOF-UHFFFAOYSA-N
MW325.92 g/mol
LogP4.47
Rot. Bonds6

About N-(2-phenylethyl)-2,6-di(propan-2-yl)oxan-4-amine;hydrochloride

N-(2-phenylethyl)-2,6-di(propan-2-yl)oxan-4-amine;hydrochloride (PubChem CID 134693407) has the molecular formula C19H32ClNO and a molecular weight of 325.92 g/mol. Its IUPAC name is N-(2-phenylethyl)-2,6-di(propan-2-yl)oxan-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(2-phenylethyl)-2,6-di(propan-2-yl)oxan-4-amine;hydrochloride
PubChem CID134693407
Molecular FormulaC19H32ClNO
Molecular Weight325.92 g/mol
Exact Mass325.22
IUPAC NameN-(2-phenylethyl)-2,6-di(propan-2-yl)oxan-4-amine;hydrochloride
SMILESCC(C)C1CC(NCCc2ccccc2)CC(C(C)C)O1.Cl
InChIInChI=1S/C19H31NO.ClH/c1-14(2)18-12-17(13-19(21-18)15(3)4)20-11-10-16-8-6-5-7-9-16;/h5-9,14-15,17-20H,10-13H2,1-4H3;1H
InChIKeyGXFCUZYPQZGBOF-UHFFFAOYSA-N
XLogP4.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.92
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-2,6-di(propan-2-yl)oxan-4-amine;hydrochloride?
The IUPAC name of N-(2-phenylethyl)-2,6-di(propan-2-yl)oxan-4-amine;hydrochloride (CID 134693407) is N-(2-phenylethyl)-2,6-di(propan-2-yl)oxan-4-amine;hydrochloride.
What is the SMILES notation for N-(2-phenylethyl)-2,6-di(propan-2-yl)oxan-4-amine;hydrochloride?
The canonical SMILES for N-(2-phenylethyl)-2,6-di(propan-2-yl)oxan-4-amine;hydrochloride is CC(C)C1CC(NCCc2ccccc2)CC(C(C)C)O1.Cl.
What is the InChIKey of N-(2-phenylethyl)-2,6-di(propan-2-yl)oxan-4-amine;hydrochloride?
The InChIKey is GXFCUZYPQZGBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO.ClH/c1-14(2)18-12-17(13-19(21-18)15(3)4)20-11-10-16-8-6-5-7-9-16;/h5-9,14-15,17-20H,10-13H2,1-4H3;1H.
What are the key properties of N-(2-phenylethyl)-2,6-di(propan-2-yl)oxan-4-amine;hydrochloride?
N-(2-phenylethyl)-2,6-di(propan-2-yl)oxan-4-amine;hydrochloride has a molecular weight of 325.92 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-2,6-di(propan-2-yl)oxan-4-amine;hydrochloride is sourced from PubChem (CID 134693407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).