N-[(3-methyloxetan-3-yl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine

C17H26N2O — CID 107234697

IUPACN-[(3-methyloxetan-3-yl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine
SMILESCC1(CNCC(c2ccccc2)N2CCCC2)COC1
InChIInChI=1S/C17H26N2O/c1-17(13-20-14-17)12-18-11-16(19-9-5-6-10-19)15-7-3-2-4-8-15/h2-4,7-8,16,18H,5-6,9-14H2,1H3
InChIKeyRETZHOLYWDRBMZ-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.45
Rot. Bonds6

About N-[(3-methyloxetan-3-yl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine

N-[(3-methyloxetan-3-yl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine (PubChem CID 107234697) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[(3-methyloxetan-3-yl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound NameN-[(3-methyloxetan-3-yl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine
PubChem CID107234697
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[(3-methyloxetan-3-yl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine
SMILESCC1(CNCC(c2ccccc2)N2CCCC2)COC1
InChIInChI=1S/C17H26N2O/c1-17(13-20-14-17)12-18-11-16(19-9-5-6-10-19)15-7-3-2-4-8-15/h2-4,7-8,16,18H,5-6,9-14H2,1H3
InChIKeyRETZHOLYWDRBMZ-UHFFFAOYSA-N
XLogP2.45
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 43180882
N-(2-phenyl-2-pyrrolidin-1-ylethyl)propan-1-amine
CID 43202060
N-[1-(1-methylcyclopropyl)ethyl]-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 43363202
N-ethyl-2-morpholin-4-yl-2-phenylethanamine;molecular hydrogen
CID 144767437
3,3-dimethyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butan-1-amine
CID 60694080
1-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-methyl-3-[(3-methyloxetan-3-yl)methyl]guanidine
CID 111830180
N-(furan-2-ylmethyl)-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 43180875
1-[(1R)-1-phenylpropyl]azepane
CID 97315480
2-(azepan-1-yl)-N-(furan-3-ylmethyl)-2-phenylethanamine
CID 131938718
N-[2-(4,4-dimethylpiperidin-1-yl)-2-phenylethyl]propan-1-amine
CID 62930999
1-[(1-hydroxycyclobutyl)methyl]-3-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]urea
CID 97215316
1-[(1S)-3-methyl-1-phenylbutyl]piperidine
CID 92967702

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyloxetan-3-yl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine?
The IUPAC name of N-[(3-methyloxetan-3-yl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine (CID 107234697) is N-[(3-methyloxetan-3-yl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for N-[(3-methyloxetan-3-yl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for N-[(3-methyloxetan-3-yl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine is CC1(CNCC(c2ccccc2)N2CCCC2)COC1.
What is the InChIKey of N-[(3-methyloxetan-3-yl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine?
The InChIKey is RETZHOLYWDRBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-17(13-20-14-17)12-18-11-16(19-9-5-6-10-19)15-7-3-2-4-8-15/h2-4,7-8,16,18H,5-6,9-14H2,1H3.
What are the key properties of N-[(3-methyloxetan-3-yl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine?
N-[(3-methyloxetan-3-yl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine has a molecular weight of 274.41 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyloxetan-3-yl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 107234697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).