2-(3-methoxypyrrolidin-1-yl)-1-naphthalen-2-ylethanamine

C17H22N2O — CID 103532357

IUPAC2-(3-methoxypyrrolidin-1-yl)-1-naphthalen-2-ylethanamine
SMILESCOC1CCN(CC(N)c2ccc3ccccc3c2)C1
InChIInChI=1S/C17H22N2O/c1-20-16-8-9-19(11-16)12-17(18)15-7-6-13-4-2-3-5-14(13)10-15/h2-7,10,16-17H,8-9,11-12,18H2,1H3
InChIKeyRYEDXLAYXJVCQD-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.56
Rot. Bonds4

About 2-(3-methoxypyrrolidin-1-yl)-1-naphthalen-2-ylethanamine

2-(3-methoxypyrrolidin-1-yl)-1-naphthalen-2-ylethanamine (PubChem CID 103532357) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-(3-methoxypyrrolidin-1-yl)-1-naphthalen-2-ylethanamine.

Molecular Properties

Compound Name2-(3-methoxypyrrolidin-1-yl)-1-naphthalen-2-ylethanamine
PubChem CID103532357
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name2-(3-methoxypyrrolidin-1-yl)-1-naphthalen-2-ylethanamine
SMILESCOC1CCN(CC(N)c2ccc3ccccc3c2)C1
InChIInChI=1S/C17H22N2O/c1-20-16-8-9-19(11-16)12-17(18)15-7-6-13-4-2-3-5-14(13)10-15/h2-7,10,16-17H,8-9,11-12,18H2,1H3
InChIKeyRYEDXLAYXJVCQD-UHFFFAOYSA-N
XLogP2.56
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxypyrrolidin-1-yl)-N-methyl-1-naphthalen-2-ylethanamine
CID 103532164
2-(3-methylpyrrolidin-1-yl)-1-naphthalen-2-ylethanamine
CID 61224802
2-(4-methoxypiperidin-1-yl)-1-(4-propan-2-ylphenyl)ethanamine
CID 43372809
2-(azocan-1-yl)-1-naphthalen-2-ylethanamine
CID 43097660
1-(2,5-dimethoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)ethanamine
CID 103532358
2-[(3S)-3-methoxypyrrolidin-1-yl]-N-methyl-1-phenylethanamine
CID 135374431
1-(2-methoxyphenyl)-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965644
3-(3-methoxypyrrolidin-1-yl)-1-(2-methylphenyl)propan-1-amine
CID 103538996
1-(3-methoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)ethanol
CID 103536862
2-(2,2-dimethylmorpholin-4-yl)-1-naphthalen-2-ylethanamine
CID 43592754
3-cyclopentyl-1-naphthalen-2-ylpropan-1-amine
CID 115851068
1-[2-amino-2-(4-methoxyphenyl)ethyl]-N,N-diethylpyrrolidin-3-amine
CID 63169686

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypyrrolidin-1-yl)-1-naphthalen-2-ylethanamine?
The IUPAC name of 2-(3-methoxypyrrolidin-1-yl)-1-naphthalen-2-ylethanamine (CID 103532357) is 2-(3-methoxypyrrolidin-1-yl)-1-naphthalen-2-ylethanamine.
What is the SMILES notation for 2-(3-methoxypyrrolidin-1-yl)-1-naphthalen-2-ylethanamine?
The canonical SMILES for 2-(3-methoxypyrrolidin-1-yl)-1-naphthalen-2-ylethanamine is COC1CCN(CC(N)c2ccc3ccccc3c2)C1.
What is the InChIKey of 2-(3-methoxypyrrolidin-1-yl)-1-naphthalen-2-ylethanamine?
The InChIKey is RYEDXLAYXJVCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-20-16-8-9-19(11-16)12-17(18)15-7-6-13-4-2-3-5-14(13)10-15/h2-7,10,16-17H,8-9,11-12,18H2,1H3.
What are the key properties of 2-(3-methoxypyrrolidin-1-yl)-1-naphthalen-2-ylethanamine?
2-(3-methoxypyrrolidin-1-yl)-1-naphthalen-2-ylethanamine has a molecular weight of 270.38 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypyrrolidin-1-yl)-1-naphthalen-2-ylethanamine is sourced from PubChem (CID 103532357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).