4-methyl-1-[(2,4,5-trimethylphenyl)methyl]pyrrolidin-3-amine;hydrochloride

C15H25ClN2 — CID 120909872

IUPAC4-methyl-1-[(2,4,5-trimethylphenyl)methyl]pyrrolidin-3-amine;hydrochloride
SMILESCc1cc(C)c(CN2CC(C)C(N)C2)cc1C.Cl
InChIInChI=1S/C15H24N2.ClH/c1-10-5-12(3)14(6-11(10)2)8-17-7-13(4)15(16)9-17;/h5-6,13,15H,7-9,16H2,1-4H3;1H
InChIKeyGOEWXQITWOOOSJ-UHFFFAOYSA-N
MW268.83 g/mol
LogP2.81
Rot. Bonds2

About 4-methyl-1-[(2,4,5-trimethylphenyl)methyl]pyrrolidin-3-amine;hydrochloride

4-methyl-1-[(2,4,5-trimethylphenyl)methyl]pyrrolidin-3-amine;hydrochloride (PubChem CID 120909872) has the molecular formula C15H25ClN2 and a molecular weight of 268.83 g/mol. Its IUPAC name is 4-methyl-1-[(2,4,5-trimethylphenyl)methyl]pyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name4-methyl-1-[(2,4,5-trimethylphenyl)methyl]pyrrolidin-3-amine;hydrochloride
PubChem CID120909872
Molecular FormulaC15H25ClN2
Molecular Weight268.83 g/mol
Exact Mass268.17
IUPAC Name4-methyl-1-[(2,4,5-trimethylphenyl)methyl]pyrrolidin-3-amine;hydrochloride
SMILESCc1cc(C)c(CN2CC(C)C(N)C2)cc1C.Cl
InChIInChI=1S/C15H24N2.ClH/c1-10-5-12(3)14(6-11(10)2)8-17-7-13(4)15(16)9-17;/h5-6,13,15H,7-9,16H2,1-4H3;1H
InChIKeyGOEWXQITWOOOSJ-UHFFFAOYSA-N
XLogP2.81
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.83
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-fluoro-2-methylphenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
CID 120908869
4-methyl-1-[(2-methyl-4-nitrophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120908981
1-[(2,5-dimethylthiophen-3-yl)methyl]-4-methylpyrrolidin-3-amine
CID 103575263
(3R,4R)-4-amino-1-[[2,4-dimethyl-5-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrolidin-3-ol;dihydrochloride
CID 154905569
(3aR,6aS)-5-[(2,4,5-trimethylphenyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
CID 120660971
1-[(2-chloro-5-fluorophenyl)methyl]-4-methylpyrrolidin-3-amine
CID 103576941
1-[(2-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine
CID 103575175
1-[(2-bromophenyl)methyl]-4-methylpyrrolidin-3-amine
CID 103575185
1-[(2-chloro-4-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
CID 120909314
4-methyl-1-[(2-methylquinolin-4-yl)methyl]pyrrolidin-3-amine
CID 103575145
1-[(2-ethyl-4-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
CID 120909227
1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-methylpyrrolidin-3-amine
CID 103576942

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(2,4,5-trimethylphenyl)methyl]pyrrolidin-3-amine;hydrochloride?
The IUPAC name of 4-methyl-1-[(2,4,5-trimethylphenyl)methyl]pyrrolidin-3-amine;hydrochloride (CID 120909872) is 4-methyl-1-[(2,4,5-trimethylphenyl)methyl]pyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for 4-methyl-1-[(2,4,5-trimethylphenyl)methyl]pyrrolidin-3-amine;hydrochloride?
The canonical SMILES for 4-methyl-1-[(2,4,5-trimethylphenyl)methyl]pyrrolidin-3-amine;hydrochloride is Cc1cc(C)c(CN2CC(C)C(N)C2)cc1C.Cl.
What is the InChIKey of 4-methyl-1-[(2,4,5-trimethylphenyl)methyl]pyrrolidin-3-amine;hydrochloride?
The InChIKey is GOEWXQITWOOOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2.ClH/c1-10-5-12(3)14(6-11(10)2)8-17-7-13(4)15(16)9-17;/h5-6,13,15H,7-9,16H2,1-4H3;1H.
What are the key properties of 4-methyl-1-[(2,4,5-trimethylphenyl)methyl]pyrrolidin-3-amine;hydrochloride?
4-methyl-1-[(2,4,5-trimethylphenyl)methyl]pyrrolidin-3-amine;hydrochloride has a molecular weight of 268.83 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(2,4,5-trimethylphenyl)methyl]pyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 120909872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).