[3-methyl-1-(2-naphthalen-2-ylethyl)pyrrolidin-3-yl]methanamine;hydrochloride

C18H25ClN2 — CID 120772336

IUPAC[3-methyl-1-(2-naphthalen-2-ylethyl)pyrrolidin-3-yl]methanamine;hydrochloride
SMILESCC1(CN)CCN(CCc2ccc3ccccc3c2)C1.Cl
InChIInChI=1S/C18H24N2.ClH/c1-18(13-19)9-11-20(14-18)10-8-15-6-7-16-4-2-3-5-17(16)12-15;/h2-7,12H,8-11,13-14,19H2,1H3;1H
InChIKeyZZQROMKIAGESNB-UHFFFAOYSA-N
MW304.87 g/mol
LogP3.47
Rot. Bonds4

About [3-methyl-1-(2-naphthalen-2-ylethyl)pyrrolidin-3-yl]methanamine;hydrochloride

[3-methyl-1-(2-naphthalen-2-ylethyl)pyrrolidin-3-yl]methanamine;hydrochloride (PubChem CID 120772336) has the molecular formula C18H25ClN2 and a molecular weight of 304.87 g/mol. Its IUPAC name is [3-methyl-1-(2-naphthalen-2-ylethyl)pyrrolidin-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[3-methyl-1-(2-naphthalen-2-ylethyl)pyrrolidin-3-yl]methanamine;hydrochloride
PubChem CID120772336
Molecular FormulaC18H25ClN2
Molecular Weight304.87 g/mol
Exact Mass304.17
IUPAC Name[3-methyl-1-(2-naphthalen-2-ylethyl)pyrrolidin-3-yl]methanamine;hydrochloride
SMILESCC1(CN)CCN(CCc2ccc3ccccc3c2)C1.Cl
InChIInChI=1S/C18H24N2.ClH/c1-18(13-19)9-11-20(14-18)10-8-15-6-7-16-4-2-3-5-17(16)12-15;/h2-7,12H,8-11,13-14,19H2,1H3;1H
InChIKeyZZQROMKIAGESNB-UHFFFAOYSA-N
XLogP3.47
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.87
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-methyl-1-[2-(4-methylphenyl)ethyl]pyrrolidin-3-yl]methanamine
CID 120773709
[1-[(6-methoxynaphthalen-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120780544
[1-(1-benzofuran-2-ylmethyl)-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120780518
[3-methyl-1-[2-(2-phenoxyethoxy)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120771836
[1-[2-(2-chloro-6-fluorophenyl)ethyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120771335
[1-[(4-fluorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120772034
N-methyl-1-[3-methyl-1-(2-phenylethyl)pyrrolidin-3-yl]methanamine
CID 106318668
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-naphthalen-2-ylsulfanylethanone;hydrochloride
CID 120808790
[4-methyl-1-(3-phenylpropyl)piperidin-4-yl]methanamine
CID 107160658
[1-[2-(3-chlorophenoxy)ethyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120773591
[1-[(3,4-dimethoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120781185
[1-[(4-bromo-3-methylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120780404

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-(2-naphthalen-2-ylethyl)pyrrolidin-3-yl]methanamine;hydrochloride?
The IUPAC name of [3-methyl-1-(2-naphthalen-2-ylethyl)pyrrolidin-3-yl]methanamine;hydrochloride (CID 120772336) is [3-methyl-1-(2-naphthalen-2-ylethyl)pyrrolidin-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [3-methyl-1-(2-naphthalen-2-ylethyl)pyrrolidin-3-yl]methanamine;hydrochloride?
The canonical SMILES for [3-methyl-1-(2-naphthalen-2-ylethyl)pyrrolidin-3-yl]methanamine;hydrochloride is CC1(CN)CCN(CCc2ccc3ccccc3c2)C1.Cl.
What is the InChIKey of [3-methyl-1-(2-naphthalen-2-ylethyl)pyrrolidin-3-yl]methanamine;hydrochloride?
The InChIKey is ZZQROMKIAGESNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2.ClH/c1-18(13-19)9-11-20(14-18)10-8-15-6-7-16-4-2-3-5-17(16)12-15;/h2-7,12H,8-11,13-14,19H2,1H3;1H.
What are the key properties of [3-methyl-1-(2-naphthalen-2-ylethyl)pyrrolidin-3-yl]methanamine;hydrochloride?
[3-methyl-1-(2-naphthalen-2-ylethyl)pyrrolidin-3-yl]methanamine;hydrochloride has a molecular weight of 304.87 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-(2-naphthalen-2-ylethyl)pyrrolidin-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 120772336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).