N-benzyl-2-[(4R)-4-benzyl-2,2-dimethyloxan-4-yl]ethanamine

C23H31NO — CID 42564070

IUPACN-benzyl-2-[(4R)-4-benzyl-2,2-dimethyloxan-4-yl]ethanamine
SMILESCC1(C)C[C@@](CCNCc2ccccc2)(Cc2ccccc2)CCO1
InChIInChI=1S/C23H31NO/c1-22(2)19-23(14-16-25-22,17-20-9-5-3-6-10-20)13-15-24-18-21-11-7-4-8-12-21/h3-12,24H,13-19H2,1-2H3/t23-/m1/s1
InChIKeyUEWIGVOOLPSOOV-HSZRJFAPSA-N
MW337.51 g/mol
LogP4.98
Rot. Bonds7

About N-benzyl-2-[(4R)-4-benzyl-2,2-dimethyloxan-4-yl]ethanamine

N-benzyl-2-[(4R)-4-benzyl-2,2-dimethyloxan-4-yl]ethanamine (PubChem CID 42564070) has the molecular formula C23H31NO and a molecular weight of 337.51 g/mol. Its IUPAC name is N-benzyl-2-[(4R)-4-benzyl-2,2-dimethyloxan-4-yl]ethanamine.

Molecular Properties

Compound NameN-benzyl-2-[(4R)-4-benzyl-2,2-dimethyloxan-4-yl]ethanamine
PubChem CID42564070
Molecular FormulaC23H31NO
Molecular Weight337.51 g/mol
Exact Mass337.24
IUPAC NameN-benzyl-2-[(4R)-4-benzyl-2,2-dimethyloxan-4-yl]ethanamine
SMILESCC1(C)C[C@@](CCNCc2ccccc2)(Cc2ccccc2)CCO1
InChIInChI=1S/C23H31NO/c1-22(2)19-23(14-16-25-22,17-20-9-5-3-6-10-20)13-15-24-18-21-11-7-4-8-12-21/h3-12,24H,13-19H2,1-2H3/t23-/m1/s1
InChIKeyUEWIGVOOLPSOOV-HSZRJFAPSA-N
XLogP4.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-[4-[(2-chlorophenyl)methyl]-2,2-dimethyloxan-4-yl]ethanamine
CID 5010881
2-[2-[(4R)-4-benzyl-2,2-dimethyloxan-4-yl]ethylcarbamoyl]benzoate
CID 6970726
1-[2-(4-benzyl-2,2-dimethyloxan-4-yl)ethyl]pyrrolidine-2,5-dione
CID 2900998
2-[4-[(2-chlorophenyl)methyl]-2,2-dimethyloxan-4-yl]-N-[(2-fluorophenyl)methyl]ethanamine
CID 4588238
N-[2-[4-[(2-chlorophenyl)methyl]-2,2-dimethyloxan-4-yl]ethyl]-N',N'-dimethylethane-1,2-diamine
CID 45142899
4-[2-[(4-methoxyphenyl)methylamino]ethyl]-2,2-dimethyloxan-4-ol
CID 3105290
N-[2-[4-[(2-chlorophenyl)methyl]-2,2-dimethyloxan-4-yl]ethyl]-3-methoxypropan-1-amine
CID 45142900
4-[[[(2R)-2-[(4R)-4-benzyl-2,2-dimethyloxan-4-yl]-3-hydroxypropyl]amino]methyl]phenol
CID 1101232
N-benzyl-2-[1-(2-methoxyethyl)cyclobutyl]ethanamine
CID 165464463
N-benzyl-2-[(2S,4R)-2-ethyl-4-(2-methoxyphenyl)-2-methyloxan-4-yl]ethanamine
CID 7102250
N-[2-(2,2-dimethyl-4-propyloxan-4-yl)ethyl]furan-2-carboxamide
CID 71827324
2-[(2S,4S)-4-benzyl-2-propan-2-yloxan-4-yl]-N-(furan-2-ylmethyl)ethanamine
CID 40917194

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(4R)-4-benzyl-2,2-dimethyloxan-4-yl]ethanamine?
The IUPAC name of N-benzyl-2-[(4R)-4-benzyl-2,2-dimethyloxan-4-yl]ethanamine (CID 42564070) is N-benzyl-2-[(4R)-4-benzyl-2,2-dimethyloxan-4-yl]ethanamine.
What is the SMILES notation for N-benzyl-2-[(4R)-4-benzyl-2,2-dimethyloxan-4-yl]ethanamine?
The canonical SMILES for N-benzyl-2-[(4R)-4-benzyl-2,2-dimethyloxan-4-yl]ethanamine is CC1(C)C[C@@](CCNCc2ccccc2)(Cc2ccccc2)CCO1.
What is the InChIKey of N-benzyl-2-[(4R)-4-benzyl-2,2-dimethyloxan-4-yl]ethanamine?
The InChIKey is UEWIGVOOLPSOOV-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H31NO/c1-22(2)19-23(14-16-25-22,17-20-9-5-3-6-10-20)13-15-24-18-21-11-7-4-8-12-21/h3-12,24H,13-19H2,1-2H3/t23-/m1/s1.
What are the key properties of N-benzyl-2-[(4R)-4-benzyl-2,2-dimethyloxan-4-yl]ethanamine?
N-benzyl-2-[(4R)-4-benzyl-2,2-dimethyloxan-4-yl]ethanamine has a molecular weight of 337.51 g/mol, XLogP of 4.98, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(4R)-4-benzyl-2,2-dimethyloxan-4-yl]ethanamine is sourced from PubChem (CID 42564070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).