N-benzyl-2,2-dimethyl-N-(2-phenylethyl)oxan-4-amine;hydrochloride

C22H30ClNO — CID 16681847

IUPACN-benzyl-2,2-dimethyl-N-(2-phenylethyl)oxan-4-amine;hydrochloride
SMILESCC1(C)CC(N(CCc2ccccc2)Cc2ccccc2)CCO1.Cl
InChIInChI=1S/C22H29NO.ClH/c1-22(2)17-21(14-16-24-22)23(18-20-11-7-4-8-12-20)15-13-19-9-5-3-6-10-19;/h3-12,21H,13-18H2,1-2H3;1H
InChIKeyWZTDSMYAKCOIOH-UHFFFAOYSA-N
MW359.94 g/mol
LogP5.11
Rot. Bonds6

About N-benzyl-2,2-dimethyl-N-(2-phenylethyl)oxan-4-amine;hydrochloride

N-benzyl-2,2-dimethyl-N-(2-phenylethyl)oxan-4-amine;hydrochloride (PubChem CID 16681847) has the molecular formula C22H30ClNO and a molecular weight of 359.94 g/mol. Its IUPAC name is N-benzyl-2,2-dimethyl-N-(2-phenylethyl)oxan-4-amine;hydrochloride.

Molecular Properties

Compound NameN-benzyl-2,2-dimethyl-N-(2-phenylethyl)oxan-4-amine;hydrochloride
PubChem CID16681847
Molecular FormulaC22H30ClNO
Molecular Weight359.94 g/mol
Exact Mass359.20
IUPAC NameN-benzyl-2,2-dimethyl-N-(2-phenylethyl)oxan-4-amine;hydrochloride
SMILESCC1(C)CC(N(CCc2ccccc2)Cc2ccccc2)CCO1.Cl
InChIInChI=1S/C22H29NO.ClH/c1-22(2)17-21(14-16-24-22)23(18-20-11-7-4-8-12-20)15-13-19-9-5-3-6-10-19;/h3-12,21H,13-18H2,1-2H3;1H
InChIKeyWZTDSMYAKCOIOH-UHFFFAOYSA-N
XLogP5.11
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.94
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,2-dimethyl-N-(2-phenylethyl)oxan-4-amine;hydrochloride?
The IUPAC name of N-benzyl-2,2-dimethyl-N-(2-phenylethyl)oxan-4-amine;hydrochloride (CID 16681847) is N-benzyl-2,2-dimethyl-N-(2-phenylethyl)oxan-4-amine;hydrochloride.
What is the SMILES notation for N-benzyl-2,2-dimethyl-N-(2-phenylethyl)oxan-4-amine;hydrochloride?
The canonical SMILES for N-benzyl-2,2-dimethyl-N-(2-phenylethyl)oxan-4-amine;hydrochloride is CC1(C)CC(N(CCc2ccccc2)Cc2ccccc2)CCO1.Cl.
What is the InChIKey of N-benzyl-2,2-dimethyl-N-(2-phenylethyl)oxan-4-amine;hydrochloride?
The InChIKey is WZTDSMYAKCOIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO.ClH/c1-22(2)17-21(14-16-24-22)23(18-20-11-7-4-8-12-20)15-13-19-9-5-3-6-10-19;/h3-12,21H,13-18H2,1-2H3;1H.
What are the key properties of N-benzyl-2,2-dimethyl-N-(2-phenylethyl)oxan-4-amine;hydrochloride?
N-benzyl-2,2-dimethyl-N-(2-phenylethyl)oxan-4-amine;hydrochloride has a molecular weight of 359.94 g/mol, XLogP of 5.11, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,2-dimethyl-N-(2-phenylethyl)oxan-4-amine;hydrochloride is sourced from PubChem (CID 16681847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).