[1-[(2,4,6-trimethylphenyl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride

C15H25ClN2 — CID 119927229

IUPAC[1-[(2,4,6-trimethylphenyl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride
SMILESCc1cc(C)c(CN2CCCC2CN)c(C)c1.Cl
InChIInChI=1S/C15H24N2.ClH/c1-11-7-12(2)15(13(3)8-11)10-17-6-4-5-14(17)9-16;/h7-8,14H,4-6,9-10,16H2,1-3H3;1H
InChIKeyGMUHBWGUCSYWQB-UHFFFAOYSA-N
MW268.83 g/mol
LogP2.96
Rot. Bonds3

About [1-[(2,4,6-trimethylphenyl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride

[1-[(2,4,6-trimethylphenyl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride (PubChem CID 119927229) has the molecular formula C15H25ClN2 and a molecular weight of 268.83 g/mol. Its IUPAC name is [1-[(2,4,6-trimethylphenyl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[(2,4,6-trimethylphenyl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride
PubChem CID119927229
Molecular FormulaC15H25ClN2
Molecular Weight268.83 g/mol
Exact Mass268.17
IUPAC Name[1-[(2,4,6-trimethylphenyl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride
SMILESCc1cc(C)c(CN2CCCC2CN)c(C)c1.Cl
InChIInChI=1S/C15H24N2.ClH/c1-11-7-12(2)15(13(3)8-11)10-17-6-4-5-14(17)9-16;/h7-8,14H,4-6,9-10,16H2,1-3H3;1H
InChIKeyGMUHBWGUCSYWQB-UHFFFAOYSA-N
XLogP2.96
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.83
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(2,4,6-trimethylphenyl)methyl]azepan-2-yl]methanamine
CID 116640521
2-(bromomethyl)-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidine
CID 80677057
2-(2-bromoethyl)-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidine
CID 112747825
N-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine
CID 62581254
[1-[(2,5-dimethylphenyl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119916076
[1-[(4-bromo-3-methylphenyl)methyl]pyrrolidin-2-yl]methanamine
CID 115311730
[1-[(2,3-dimethylphenyl)methyl]pyrrolidin-2-yl]methanamine
CID 115311614
[(2S)-1-benzylpyrrolidin-2-yl]methanamine;hydrochloride
CID 22856183
[1-[(2,4,6-trimethylphenyl)methyl]piperidin-4-yl]methanamine
CID 54793607
[1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]methanamine
CID 115311784
[1-[(5-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methanamine
CID 115311630
[(2R)-1-ethylpyrrolidin-2-yl]methanamine;hydrochloride
CID 46738121

Frequently Asked Questions

What is the IUPAC name of [1-[(2,4,6-trimethylphenyl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride?
The IUPAC name of [1-[(2,4,6-trimethylphenyl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride (CID 119927229) is [1-[(2,4,6-trimethylphenyl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-[(2,4,6-trimethylphenyl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride?
The canonical SMILES for [1-[(2,4,6-trimethylphenyl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride is Cc1cc(C)c(CN2CCCC2CN)c(C)c1.Cl.
What is the InChIKey of [1-[(2,4,6-trimethylphenyl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride?
The InChIKey is GMUHBWGUCSYWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2.ClH/c1-11-7-12(2)15(13(3)8-11)10-17-6-4-5-14(17)9-16;/h7-8,14H,4-6,9-10,16H2,1-3H3;1H.
What are the key properties of [1-[(2,4,6-trimethylphenyl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride?
[1-[(2,4,6-trimethylphenyl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride has a molecular weight of 268.83 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,4,6-trimethylphenyl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 119927229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).