2-methyl-1-[3-(3-methylphenyl)pyrrolidin-1-yl]propan-2-amine;hydrochloride

C15H25ClN2 — CID 120851281

IUPAC2-methyl-1-[3-(3-methylphenyl)pyrrolidin-1-yl]propan-2-amine;hydrochloride
SMILESCc1cccc(C2CCN(CC(C)(C)N)C2)c1.Cl
InChIInChI=1S/C15H24N2.ClH/c1-12-5-4-6-13(9-12)14-7-8-17(10-14)11-15(2,3)16;/h4-6,9,14H,7-8,10-11,16H2,1-3H3;1H
InChIKeyHLYJBWBVMKVSKL-UHFFFAOYSA-N
MW268.83 g/mol
LogP2.94
Rot. Bonds3

About 2-methyl-1-[3-(3-methylphenyl)pyrrolidin-1-yl]propan-2-amine;hydrochloride

2-methyl-1-[3-(3-methylphenyl)pyrrolidin-1-yl]propan-2-amine;hydrochloride (PubChem CID 120851281) has the molecular formula C15H25ClN2 and a molecular weight of 268.83 g/mol. Its IUPAC name is 2-methyl-1-[3-(3-methylphenyl)pyrrolidin-1-yl]propan-2-amine;hydrochloride.

Molecular Properties

Compound Name2-methyl-1-[3-(3-methylphenyl)pyrrolidin-1-yl]propan-2-amine;hydrochloride
PubChem CID120851281
Molecular FormulaC15H25ClN2
Molecular Weight268.83 g/mol
Exact Mass268.17
IUPAC Name2-methyl-1-[3-(3-methylphenyl)pyrrolidin-1-yl]propan-2-amine;hydrochloride
SMILESCc1cccc(C2CCN(CC(C)(C)N)C2)c1.Cl
InChIInChI=1S/C15H24N2.ClH/c1-12-5-4-6-13(9-12)14-7-8-17(10-14)11-15(2,3)16;/h4-6,9,14H,7-8,10-11,16H2,1-3H3;1H
InChIKeyHLYJBWBVMKVSKL-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butyl-4-(3-methylphenyl)piperidine
CID 158482737
2-phenyl-1-(3-phenylpyrrolidin-1-yl)propan-2-amine
CID 62488099
4-(3-methylphenyl)-1-[(4-methylphenyl)methyl]piperidine
CID 143844353
1-[4-(2,6-difluorophenyl)piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride
CID 120851606
3-(3-methylphenyl)pyrrolidine-1-carbothioamide
CID 134367760
1-(2-methoxyethyl)-4-(3-methylphenyl)piperidine
CID 163612835
3-(1-ethylpyrrolidin-3-yl)aniline
CID 46941945
1-(3-tert-butylpiperidin-1-yl)-2-methylpropan-2-amine;hydrochloride
CID 120858200
4-[[3-(3-methylphenyl)pyrrolidin-1-yl]methyl]-2-phenyltriazole
CID 167809385
4-[[(3S)-3-(3-methylphenyl)piperidin-1-yl]methyl]pyridine
CID 95861552
1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethyl]-3-(3-methylphenyl)pyrrolidine
CID 178137340
1-ethyl-N-[3-(3-methylphenyl)cyclobutyl]piperidin-4-amine
CID 61039134

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-(3-methylphenyl)pyrrolidin-1-yl]propan-2-amine;hydrochloride?
The IUPAC name of 2-methyl-1-[3-(3-methylphenyl)pyrrolidin-1-yl]propan-2-amine;hydrochloride (CID 120851281) is 2-methyl-1-[3-(3-methylphenyl)pyrrolidin-1-yl]propan-2-amine;hydrochloride.
What is the SMILES notation for 2-methyl-1-[3-(3-methylphenyl)pyrrolidin-1-yl]propan-2-amine;hydrochloride?
The canonical SMILES for 2-methyl-1-[3-(3-methylphenyl)pyrrolidin-1-yl]propan-2-amine;hydrochloride is Cc1cccc(C2CCN(CC(C)(C)N)C2)c1.Cl.
What is the InChIKey of 2-methyl-1-[3-(3-methylphenyl)pyrrolidin-1-yl]propan-2-amine;hydrochloride?
The InChIKey is HLYJBWBVMKVSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2.ClH/c1-12-5-4-6-13(9-12)14-7-8-17(10-14)11-15(2,3)16;/h4-6,9,14H,7-8,10-11,16H2,1-3H3;1H.
What are the key properties of 2-methyl-1-[3-(3-methylphenyl)pyrrolidin-1-yl]propan-2-amine;hydrochloride?
2-methyl-1-[3-(3-methylphenyl)pyrrolidin-1-yl]propan-2-amine;hydrochloride has a molecular weight of 268.83 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-(3-methylphenyl)pyrrolidin-1-yl]propan-2-amine;hydrochloride is sourced from PubChem (CID 120851281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).