[1-(naphthalen-1-ylmethyl)pyrrolidin-2-yl]methanamine

C16H20N2 — CID 43187015

IUPAC[1-(naphthalen-1-ylmethyl)pyrrolidin-2-yl]methanamine
SMILESNCC1CCCN1Cc1cccc2ccccc12
InChIInChI=1S/C16H20N2/c17-11-15-8-4-10-18(15)12-14-7-3-6-13-5-1-2-9-16(13)14/h1-3,5-7,9,15H,4,8,10-12,17H2
InChIKeyYYBPNLBPQOEALO-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.76
Rot. Bonds3

About [1-(naphthalen-1-ylmethyl)pyrrolidin-2-yl]methanamine

[1-(naphthalen-1-ylmethyl)pyrrolidin-2-yl]methanamine (PubChem CID 43187015) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is [1-(naphthalen-1-ylmethyl)pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(naphthalen-1-ylmethyl)pyrrolidin-2-yl]methanamine
PubChem CID43187015
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name[1-(naphthalen-1-ylmethyl)pyrrolidin-2-yl]methanamine
SMILESNCC1CCCN1Cc1cccc2ccccc12
InChIInChI=1S/C16H20N2/c17-11-15-8-4-10-18(15)12-14-7-3-6-13-5-1-2-9-16(13)14/h1-3,5-7,9,15H,4,8,10-12,17H2
InChIKeyYYBPNLBPQOEALO-UHFFFAOYSA-N
XLogP2.76
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(naphthalen-1-ylmethyl)pyrrolidin-2-yl]propan-2-ol
CID 115758703
[1-[(2,3-dimethylphenyl)methyl]pyrrolidin-2-yl]methanamine
CID 115311614
[1-[(2-chlorophenyl)methyl]piperidin-2-yl]methanamine
CID 43187060
1-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxamide
CID 142687635
[(2S)-1-benzylpyrrolidin-2-yl]methanamine;hydrochloride
CID 22856183
[1-[(1-ethylindol-3-yl)methyl]pyrrolidin-2-yl]methanamine
CID 115311556
[1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methanamine
CID 115311651
[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-yl]methanamine
CID 113453609
(2R)-2-[(3,4-dimethoxyphenoxy)methyl]-1-(naphthalen-1-ylmethyl)pyrrolidine
CID 177378706
[1-[[2-(aminomethyl)phenyl]methyl]pyrrolidin-2-yl]methanol
CID 61407811
1-(naphthalen-1-ylmethyl)piperidine-2-carboxylic acid
CID 5212584
[(2S)-1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]methanamine
CID 29080623

Frequently Asked Questions

What is the IUPAC name of [1-(naphthalen-1-ylmethyl)pyrrolidin-2-yl]methanamine?
The IUPAC name of [1-(naphthalen-1-ylmethyl)pyrrolidin-2-yl]methanamine (CID 43187015) is [1-(naphthalen-1-ylmethyl)pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [1-(naphthalen-1-ylmethyl)pyrrolidin-2-yl]methanamine?
The canonical SMILES for [1-(naphthalen-1-ylmethyl)pyrrolidin-2-yl]methanamine is NCC1CCCN1Cc1cccc2ccccc12.
What is the InChIKey of [1-(naphthalen-1-ylmethyl)pyrrolidin-2-yl]methanamine?
The InChIKey is YYBPNLBPQOEALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c17-11-15-8-4-10-18(15)12-14-7-3-6-13-5-1-2-9-16(13)14/h1-3,5-7,9,15H,4,8,10-12,17H2.
What are the key properties of [1-(naphthalen-1-ylmethyl)pyrrolidin-2-yl]methanamine?
[1-(naphthalen-1-ylmethyl)pyrrolidin-2-yl]methanamine has a molecular weight of 240.35 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(naphthalen-1-ylmethyl)pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 43187015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).