N-[(1-naphthalen-2-ylpyrrolidin-3-yl)methyl]ethanamine

C17H22N2 — CID 62513771

IUPACN-[(1-naphthalen-2-ylpyrrolidin-3-yl)methyl]ethanamine
SMILESCCNCC1CCN(c2ccc3ccccc3c2)C1
InChIInChI=1S/C17H22N2/c1-2-18-12-14-9-10-19(13-14)17-8-7-15-5-3-4-6-16(15)11-17/h3-8,11,14,18H,2,9-10,12-13H2,1H3
InChIKeyGPBZWVJVWXPTQU-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.28
Rot. Bonds4

About N-[(1-naphthalen-2-ylpyrrolidin-3-yl)methyl]ethanamine

N-[(1-naphthalen-2-ylpyrrolidin-3-yl)methyl]ethanamine (PubChem CID 62513771) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is N-[(1-naphthalen-2-ylpyrrolidin-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-naphthalen-2-ylpyrrolidin-3-yl)methyl]ethanamine
PubChem CID62513771
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC NameN-[(1-naphthalen-2-ylpyrrolidin-3-yl)methyl]ethanamine
SMILESCCNCC1CCN(c2ccc3ccccc3c2)C1
InChIInChI=1S/C17H22N2/c1-2-18-12-14-9-10-19(13-14)17-8-7-15-5-3-4-6-16(15)11-17/h3-8,11,14,18H,2,9-10,12-13H2,1H3
InChIKeyGPBZWVJVWXPTQU-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(1-naphthalen-2-ylpyrrolidin-3-yl)methanamine
CID 62513770
N-[(1-quinolin-6-ylpyrrolidin-3-yl)methyl]ethanamine
CID 62634247
N-[(1-naphthalen-2-ylpyrrolidin-3-yl)methyl]cyclopropanamine
CID 62513614
N-[[1-(3,4-dichlorophenyl)pyrrolidin-3-yl]methyl]ethanamine
CID 54792830
N-[[1-(3-propan-2-yloxyphenyl)pyrrolidin-3-yl]methyl]ethanamine
CID 54792855
N-[(1-quinolin-3-ylpyrrolidin-3-yl)methyl]propan-1-amine
CID 62783429
N-[[1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]ethanamine
CID 54792763
N-[[1-(1-naphthalen-2-ylethyl)piperidin-4-yl]methyl]ethanamine
CID 119927809
N-[[1-(6-bromonaphthalen-2-yl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 81266805
N-[[1-(2-ethoxyphenyl)pyrrolidin-3-yl]methyl]ethanamine
CID 54792876
N-[[1-(3-iodophenyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 55081199
(3R,4S)-3-butyl-1-naphthalen-2-ylpiperidin-4-amine;hydrochloride
CID 68686524

Frequently Asked Questions

What is the IUPAC name of N-[(1-naphthalen-2-ylpyrrolidin-3-yl)methyl]ethanamine?
The IUPAC name of N-[(1-naphthalen-2-ylpyrrolidin-3-yl)methyl]ethanamine (CID 62513771) is N-[(1-naphthalen-2-ylpyrrolidin-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(1-naphthalen-2-ylpyrrolidin-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(1-naphthalen-2-ylpyrrolidin-3-yl)methyl]ethanamine is CCNCC1CCN(c2ccc3ccccc3c2)C1.
What is the InChIKey of N-[(1-naphthalen-2-ylpyrrolidin-3-yl)methyl]ethanamine?
The InChIKey is GPBZWVJVWXPTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-2-18-12-14-9-10-19(13-14)17-8-7-15-5-3-4-6-16(15)11-17/h3-8,11,14,18H,2,9-10,12-13H2,1H3.
What are the key properties of N-[(1-naphthalen-2-ylpyrrolidin-3-yl)methyl]ethanamine?
N-[(1-naphthalen-2-ylpyrrolidin-3-yl)methyl]ethanamine has a molecular weight of 254.38 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-naphthalen-2-ylpyrrolidin-3-yl)methyl]ethanamine is sourced from PubChem (CID 62513771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).