[1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidin-2-yl]methanamine;hydrochloride

C15H25ClN2O — CID 119927215

IUPAC[1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidin-2-yl]methanamine;hydrochloride
SMILESCc1ccc(C)c(OCCN2CCCC2CN)c1.Cl
InChIInChI=1S/C15H24N2O.ClH/c1-12-5-6-13(2)15(10-12)18-9-8-17-7-3-4-14(17)11-16;/h5-6,10,14H,3-4,7-9,11,16H2,1-2H3;1H
InChIKeyRSMSSFQKXUCDHD-UHFFFAOYSA-N
MW284.83 g/mol
LogP2.53
Rot. Bonds5

About [1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidin-2-yl]methanamine;hydrochloride

[1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidin-2-yl]methanamine;hydrochloride (PubChem CID 119927215) has the molecular formula C15H25ClN2O and a molecular weight of 284.83 g/mol. Its IUPAC name is [1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidin-2-yl]methanamine;hydrochloride
PubChem CID119927215
Molecular FormulaC15H25ClN2O
Molecular Weight284.83 g/mol
Exact Mass284.17
IUPAC Name[1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidin-2-yl]methanamine;hydrochloride
SMILESCc1ccc(C)c(OCCN2CCCC2CN)c1.Cl
InChIInChI=1S/C15H24N2O.ClH/c1-12-5-6-13(2)15(10-12)18-9-8-17-7-3-4-14(17)11-16;/h5-6,10,14H,3-4,7-9,11,16H2,1-2H3;1H
InChIKeyRSMSSFQKXUCDHD-UHFFFAOYSA-N
XLogP2.53
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.83
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[2-(2-methoxy-4-methylphenoxy)ethyl]piperidin-2-yl]methanamine;dihydrochloride
CID 154903203
[(2R)-1-[3-(2,5-dimethylphenoxy)propyl]pyrrolidin-2-yl]methanol
CID 62736389
[(2S)-1-[3-(2,5-dimethylphenoxy)propyl]pyrrolidin-2-yl]methanol
CID 79028219
1-[1-[3-(2,5-dimethylphenoxy)propyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 81490979
(2S)-1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 75430248
3-[1-[3-(2,5-dimethylphenoxy)propyl]pyrrolidin-2-yl]propan-1-ol
CID 62466933
1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidine-2-carboxylic acid
CID 43441878
[1-[2-(3-methylphenoxy)ethyl]piperidin-2-yl]methanamine;hydrochloride
CID 119915967
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(2,5-dimethylphenoxy)ethanone;hydrochloride
CID 119633334
1-[2-(2,5-dimethylphenoxy)ethyl]piperidin-3-amine
CID 61295726
2-[1-[2-(2,5-dimethylphenoxy)ethyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728149
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(2,5-dimethylphenoxy)ethanone
CID 119633335

Frequently Asked Questions

What is the IUPAC name of [1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidin-2-yl]methanamine;hydrochloride?
The IUPAC name of [1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidin-2-yl]methanamine;hydrochloride (CID 119927215) is [1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidin-2-yl]methanamine;hydrochloride?
The canonical SMILES for [1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidin-2-yl]methanamine;hydrochloride is Cc1ccc(C)c(OCCN2CCCC2CN)c1.Cl.
What is the InChIKey of [1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidin-2-yl]methanamine;hydrochloride?
The InChIKey is RSMSSFQKXUCDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O.ClH/c1-12-5-6-13(2)15(10-12)18-9-8-17-7-3-4-14(17)11-16;/h5-6,10,14H,3-4,7-9,11,16H2,1-2H3;1H.
What are the key properties of [1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidin-2-yl]methanamine;hydrochloride?
[1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidin-2-yl]methanamine;hydrochloride has a molecular weight of 284.83 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidin-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 119927215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).