[1-[(2,6-dimethylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride

C15H25ClN2 — CID 120773794

IUPAC[1-[(2,6-dimethylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
SMILESCc1cccc(C)c1CN1CCC(C)(CN)C1.Cl
InChIInChI=1S/C15H24N2.ClH/c1-12-5-4-6-13(2)14(12)9-17-8-7-15(3,10-16)11-17;/h4-6H,7-11,16H2,1-3H3;1H
InChIKeyWTIOYKOPLHGQGU-UHFFFAOYSA-N
MW268.83 g/mol
LogP2.90
Rot. Bonds3

About [1-[(2,6-dimethylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride

[1-[(2,6-dimethylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride (PubChem CID 120773794) has the molecular formula C15H25ClN2 and a molecular weight of 268.83 g/mol. Its IUPAC name is [1-[(2,6-dimethylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[(2,6-dimethylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
PubChem CID120773794
Molecular FormulaC15H25ClN2
Molecular Weight268.83 g/mol
Exact Mass268.17
IUPAC Name[1-[(2,6-dimethylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
SMILESCc1cccc(C)c1CN1CCC(C)(CN)C1.Cl
InChIInChI=1S/C15H24N2.ClH/c1-12-5-4-6-13(2)14(12)9-17-8-7-15(3,10-16)11-17;/h4-6H,7-11,16H2,1-3H3;1H
InChIKeyWTIOYKOPLHGQGU-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(2,6-dichlorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120771962
2-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-N,N-dimethylaniline;hydrochloride
CID 120780771
[1-[(4-bromo-2-methylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120781223
[1-[(4-bromo-3-methylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120780404
[1-[(4-fluorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120772034
[3-methyl-1-[(5-methylimidazo[1,2-a]pyridin-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120780708
[3-methyl-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methanamine
CID 120781039
[1-[(4-tert-butylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120771872
[1-[(4-fluoro-3-methylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120780449
[3-methyl-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120846932
[1-[(2-ethoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120780821
[3-methyl-1-[(2-propan-2-yloxynaphthalen-1-yl)methyl]pyrrolidin-3-yl]methanamine
CID 120773135

Frequently Asked Questions

What is the IUPAC name of [1-[(2,6-dimethylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride?
The IUPAC name of [1-[(2,6-dimethylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride (CID 120773794) is [1-[(2,6-dimethylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-[(2,6-dimethylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride?
The canonical SMILES for [1-[(2,6-dimethylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride is Cc1cccc(C)c1CN1CCC(C)(CN)C1.Cl.
What is the InChIKey of [1-[(2,6-dimethylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride?
The InChIKey is WTIOYKOPLHGQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2.ClH/c1-12-5-4-6-13(2)14(12)9-17-8-7-15(3,10-16)11-17;/h4-6H,7-11,16H2,1-3H3;1H.
What are the key properties of [1-[(2,6-dimethylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride?
[1-[(2,6-dimethylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride has a molecular weight of 268.83 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,6-dimethylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 120773794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).