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

C22H29ClNO- — CID 53351142

IUPACN-benzyl-2,2-dimethyl-N-(2-phenylethyl)oxan-4-amine chloride
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/p-1
InChIKeyWZTDSMYAKCOIOH-UHFFFAOYSA-M
MW358.93 g/mol
LogP1.69
Rot. Bonds6

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

N-benzyl-2,2-dimethyl-N-(2-phenylethyl)oxan-4-amine chloride (PubChem CID 53351142) has the molecular formula C22H29ClNO- and a molecular weight of 358.93 g/mol. Its IUPAC name is N-benzyl-2,2-dimethyl-N-(2-phenylethyl)oxan-4-amine chloride.

Molecular Properties

Compound NameN-benzyl-2,2-dimethyl-N-(2-phenylethyl)oxan-4-amine chloride
PubChem CID53351142
Molecular FormulaC22H29ClNO-
Molecular Weight358.93 g/mol
Exact Mass358.19
IUPAC NameN-benzyl-2,2-dimethyl-N-(2-phenylethyl)oxan-4-amine chloride
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/p-1
InChIKeyWZTDSMYAKCOIOH-UHFFFAOYSA-M
XLogP1.69
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.93
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-(2-phenylethyl)cyclohexanamine
CID 35215800
4-[2-[benzyl(cyclopropyl)amino]ethyl]aniline
CID 43575140
1-(2,2-dimethyloxan-4-yl)-1-phenylhydrazine
CID 13449722
benzyl-[(4S)-2,2-dimethyloxan-4-yl]-(2-phenylethyl)azanium
CID 1389651
N-benzyl-N-(2-phenylethyl)-1-(2,2,2-trideuterioethyl)piperidin-4-amine
CID 118109140
N-benzyl-1-[(4-methylphenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine
CID 118109308
N,N-dibenzyl-3-bromo-3-methylcyclopentan-1-amine
CID 175131150
N-[2-(1-benzylcyclopentyl)ethyl]-N-(2,2-dimethyloxan-4-yl)acetamide
CID 42654291
N'-benzyl-N'-(oxan-4-yl)ethane-1,2-diamine
CID 63937836
N-(1-benzofuran-5-ylmethyl)-N-ethyl-2,2-dimethyloxan-4-amine
CID 126816273
2-amino-N-(2,2-dimethyloxan-4-yl)-4-phenylbutanamide
CID 114929283
(4R)-2,2-dimethyl-N-(2-phenylethyl)oxane-4-carboxamide
CID 930235

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,2-dimethyl-N-(2-phenylethyl)oxan-4-amine chloride?
The IUPAC name of N-benzyl-2,2-dimethyl-N-(2-phenylethyl)oxan-4-amine chloride (CID 53351142) is N-benzyl-2,2-dimethyl-N-(2-phenylethyl)oxan-4-amine chloride.
What is the SMILES notation for N-benzyl-2,2-dimethyl-N-(2-phenylethyl)oxan-4-amine chloride?
The canonical SMILES for N-benzyl-2,2-dimethyl-N-(2-phenylethyl)oxan-4-amine chloride 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 chloride?
The InChIKey is WZTDSMYAKCOIOH-UHFFFAOYSA-M. 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/p-1.
What are the key properties of N-benzyl-2,2-dimethyl-N-(2-phenylethyl)oxan-4-amine chloride?
N-benzyl-2,2-dimethyl-N-(2-phenylethyl)oxan-4-amine chloride has a molecular weight of 358.93 g/mol, XLogP of 1.69, 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 chloride is sourced from PubChem (CID 53351142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).