1-[1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl]ethanamine

C17H22N2 — CID 112630094

IUPAC1-[1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl]ethanamine
SMILESCC(N)C1CCN(Cc2ccc3ccccc3c2)C1
InChIInChI=1S/C17H22N2/c1-13(18)17-8-9-19(12-17)11-14-6-7-15-4-2-3-5-16(15)10-14/h2-7,10,13,17H,8-9,11-12,18H2,1H3
InChIKeyURUBGKJTFUYNEN-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.01
Rot. Bonds3

About 1-[1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl]ethanamine

1-[1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl]ethanamine (PubChem CID 112630094) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 1-[1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl]ethanamine
PubChem CID112630094
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name1-[1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl]ethanamine
SMILESCC(N)C1CCN(Cc2ccc3ccccc3c2)C1
InChIInChI=1S/C17H22N2/c1-13(18)17-8-9-19(12-17)11-14-6-7-15-4-2-3-5-16(15)10-14/h2-7,10,13,17H,8-9,11-12,18H2,1H3
InChIKeyURUBGKJTFUYNEN-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanamine;dihydrochloride
CID 71741811
1-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 83980773
1-[1-(naphthalen-1-ylmethyl)pyrrolidin-3-yl]ethanamine
CID 112630234
1-[1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 113360661
1-[1-[(4-cyclopropylphenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 103975660
4-methyl-1-(naphthalen-2-ylmethyl)piperidine
CID 15153361
1-[1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]ethanamine
CID 103975652
1-[1-[(4-ethoxy-3-fluorophenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 120843364
1-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]ethanamine
CID 112630040
4-[[3-(1-aminoethyl)pyrrolidin-1-yl]methyl]benzamide
CID 112630317
1-[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-3-yl]ethanamine
CID 112630186
1-[1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]pyrrolidin-3-yl]ethanamine
CID 103975538

Frequently Asked Questions

What is the IUPAC name of 1-[1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl]ethanamine?
The IUPAC name of 1-[1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl]ethanamine (CID 112630094) is 1-[1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl]ethanamine.
What is the SMILES notation for 1-[1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl]ethanamine?
The canonical SMILES for 1-[1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl]ethanamine is CC(N)C1CCN(Cc2ccc3ccccc3c2)C1.
What is the InChIKey of 1-[1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl]ethanamine?
The InChIKey is URUBGKJTFUYNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-13(18)17-8-9-19(12-17)11-14-6-7-15-4-2-3-5-16(15)10-14/h2-7,10,13,17H,8-9,11-12,18H2,1H3.
What are the key properties of 1-[1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl]ethanamine?
1-[1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl]ethanamine has a molecular weight of 254.38 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl]ethanamine is sourced from PubChem (CID 112630094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).