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

C17H22N2 — CID 61224802

IUPAC2-(3-methylpyrrolidin-1-yl)-1-naphthalen-2-ylethanamine
SMILESCC1CCN(CC(N)c2ccc3ccccc3c2)C1
InChIInChI=1S/C17H22N2/c1-13-8-9-19(11-13)12-17(18)16-7-6-14-4-2-3-5-15(14)10-16/h2-7,10,13,17H,8-9,11-12,18H2,1H3
InChIKeyPLAWJOPHXKALQI-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.18
Rot. Bonds3

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

2-(3-methylpyrrolidin-1-yl)-1-naphthalen-2-ylethanamine (PubChem CID 61224802) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 2-(3-methylpyrrolidin-1-yl)-1-naphthalen-2-ylethanamine.

Molecular Properties

Compound Name2-(3-methylpyrrolidin-1-yl)-1-naphthalen-2-ylethanamine
PubChem CID61224802
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name2-(3-methylpyrrolidin-1-yl)-1-naphthalen-2-ylethanamine
SMILESCC1CCN(CC(N)c2ccc3ccccc3c2)C1
InChIInChI=1S/C17H22N2/c1-13-8-9-19(11-13)12-17(18)16-7-6-14-4-2-3-5-15(14)10-16/h2-7,10,13,17H,8-9,11-12,18H2,1H3
InChIKeyPLAWJOPHXKALQI-UHFFFAOYSA-N
XLogP3.18
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methoxypyrrolidin-1-yl)-1-naphthalen-2-ylethanamine
CID 103532357
2-(azocan-1-yl)-1-naphthalen-2-ylethanamine
CID 43097660
1-(2,2-diphenylethyl)-3-methylpyrrolidine
CID 22949855
2-(2,2-dimethylmorpholin-4-yl)-1-naphthalen-2-ylethanamine
CID 43592754
3-cyclopentyl-1-naphthalen-2-ylpropan-1-amine
CID 115851068
2-(3-methoxypyrrolidin-1-yl)-N-methyl-1-naphthalen-2-ylethanamine
CID 103532164
1-(4-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 16643559
(1S)-1-naphthalen-2-ylbutan-1-amine
CID 55254735
2-[2-[(3R)-3-aminopyrrolidin-1-yl]-1-naphthalen-2-ylethyl]cyclohexan-1-ol
CID 68866970
1-(3-methoxyphenyl)-2-(4-methylazepan-1-yl)ethanamine
CID 55249009
4-methyl-1-(naphthalen-2-ylmethyl)piperidine
CID 15153361
1-(3-fluorophenyl)-2-(4-methylazepan-1-yl)ethanamine
CID 107521219

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpyrrolidin-1-yl)-1-naphthalen-2-ylethanamine?
The IUPAC name of 2-(3-methylpyrrolidin-1-yl)-1-naphthalen-2-ylethanamine (CID 61224802) is 2-(3-methylpyrrolidin-1-yl)-1-naphthalen-2-ylethanamine.
What is the SMILES notation for 2-(3-methylpyrrolidin-1-yl)-1-naphthalen-2-ylethanamine?
The canonical SMILES for 2-(3-methylpyrrolidin-1-yl)-1-naphthalen-2-ylethanamine is CC1CCN(CC(N)c2ccc3ccccc3c2)C1.
What is the InChIKey of 2-(3-methylpyrrolidin-1-yl)-1-naphthalen-2-ylethanamine?
The InChIKey is PLAWJOPHXKALQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-13-8-9-19(11-13)12-17(18)16-7-6-14-4-2-3-5-15(14)10-16/h2-7,10,13,17H,8-9,11-12,18H2,1H3.
What are the key properties of 2-(3-methylpyrrolidin-1-yl)-1-naphthalen-2-ylethanamine?
2-(3-methylpyrrolidin-1-yl)-1-naphthalen-2-ylethanamine has a molecular weight of 254.38 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpyrrolidin-1-yl)-1-naphthalen-2-ylethanamine is sourced from PubChem (CID 61224802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).