1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(2-propan-2-yloxynaphthalen-1-yl)methyl]methanamine

C21H30N2O — CID 51985910

IUPAC1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(2-propan-2-yloxynaphthalen-1-yl)methyl]methanamine
SMILESCCN1CCC[C@@H]1CNCc1c(OC(C)C)ccc2ccccc12
InChIInChI=1S/C21H30N2O/c1-4-23-13-7-9-18(23)14-22-15-20-19-10-6-5-8-17(19)11-12-21(20)24-16(2)3/h5-6,8,10-12,16,18,22H,4,7,9,13-15H2,1-3H3/t18-/m1/s1
InChIKeyIRFZVYNJAUJAEA-GOSISDBHSA-N
MW326.48 g/mol
LogP4.20
Rot. Bonds7

About 1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(2-propan-2-yloxynaphthalen-1-yl)methyl]methanamine

1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(2-propan-2-yloxynaphthalen-1-yl)methyl]methanamine (PubChem CID 51985910) has the molecular formula C21H30N2O and a molecular weight of 326.48 g/mol. Its IUPAC name is 1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(2-propan-2-yloxynaphthalen-1-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(2-propan-2-yloxynaphthalen-1-yl)methyl]methanamine
PubChem CID51985910
Molecular FormulaC21H30N2O
Molecular Weight326.48 g/mol
Exact Mass326.24
IUPAC Name1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(2-propan-2-yloxynaphthalen-1-yl)methyl]methanamine
SMILESCCN1CCC[C@@H]1CNCc1c(OC(C)C)ccc2ccccc12
InChIInChI=1S/C21H30N2O/c1-4-23-13-7-9-18(23)14-22-15-20-19-10-6-5-8-17(19)11-12-21(20)24-16(2)3/h5-6,8,10-12,16,18,22H,4,7,9,13-15H2,1-3H3/t18-/m1/s1
InChIKeyIRFZVYNJAUJAEA-GOSISDBHSA-N
XLogP4.20
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(2-propoxynaphthalen-1-yl)methyl]methanamine
CID 29241758
N-[(3,5-dibromo-4-propan-2-yloxyphenyl)methyl]-1-[(2S)-1-ethylpyrrolidin-2-yl]methanamine
CID 51985959
N-[(6-bromo-2,3-dimethoxyphenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
CID 66538959
1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[(2-methylphenyl)methyl]methanamine
CID 51627850
N-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
CID 66537980
(2R)-1-[(2-propan-2-yloxynaphthalen-1-yl)methylamino]propan-2-ol
CID 51996892
1-(1-ethylpyrrolidin-2-yl)-N-(quinolin-4-ylmethyl)methanamine
CID 63850213
1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(4-methoxyphenyl)methyl]methanamine
CID 834575
N-benzyl-1-(1-ethylpyrrolidin-2-yl)methanamine;oxalic acid
CID 17053062
1-(1-ethylpyrrolidin-2-yl)-N-[(1-methylindazol-3-yl)methyl]methanamine
CID 62999542
1-cyclohexyl-N-[(2-methoxynaphthalen-1-yl)methyl]methanamine
CID 43215559
N-[(3,4-diethoxyphenyl)methyl]-1-[(2S)-1-ethylpyrrolidin-2-yl]methanamine
CID 51628283

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(2-propan-2-yloxynaphthalen-1-yl)methyl]methanamine?
The IUPAC name of 1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(2-propan-2-yloxynaphthalen-1-yl)methyl]methanamine (CID 51985910) is 1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(2-propan-2-yloxynaphthalen-1-yl)methyl]methanamine.
What is the SMILES notation for 1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(2-propan-2-yloxynaphthalen-1-yl)methyl]methanamine?
The canonical SMILES for 1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(2-propan-2-yloxynaphthalen-1-yl)methyl]methanamine is CCN1CCC[C@@H]1CNCc1c(OC(C)C)ccc2ccccc12.
What is the InChIKey of 1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(2-propan-2-yloxynaphthalen-1-yl)methyl]methanamine?
The InChIKey is IRFZVYNJAUJAEA-GOSISDBHSA-N. The full InChI is InChI=1S/C21H30N2O/c1-4-23-13-7-9-18(23)14-22-15-20-19-10-6-5-8-17(19)11-12-21(20)24-16(2)3/h5-6,8,10-12,16,18,22H,4,7,9,13-15H2,1-3H3/t18-/m1/s1.
What are the key properties of 1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(2-propan-2-yloxynaphthalen-1-yl)methyl]methanamine?
1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(2-propan-2-yloxynaphthalen-1-yl)methyl]methanamine has a molecular weight of 326.48 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(2-propan-2-yloxynaphthalen-1-yl)methyl]methanamine is sourced from PubChem (CID 51985910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).