1-[(2-ethyl-4-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride

C15H25ClN2O — CID 120909227

IUPAC1-[(2-ethyl-4-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
SMILESCCc1cc(OC)ccc1CN1CC(C)C(N)C1.Cl
InChIInChI=1S/C15H24N2O.ClH/c1-4-12-7-14(18-3)6-5-13(12)9-17-8-11(2)15(16)10-17;/h5-7,11,15H,4,8-10,16H2,1-3H3;1H
InChIKeyBFTBGIFNYLNHRU-UHFFFAOYSA-N
MW284.83 g/mol
LogP2.46
Rot. Bonds4

About 1-[(2-ethyl-4-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride

1-[(2-ethyl-4-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride (PubChem CID 120909227) has the molecular formula C15H25ClN2O and a molecular weight of 284.83 g/mol. Its IUPAC name is 1-[(2-ethyl-4-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-[(2-ethyl-4-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
PubChem CID120909227
Molecular FormulaC15H25ClN2O
Molecular Weight284.83 g/mol
Exact Mass284.17
IUPAC Name1-[(2-ethyl-4-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
SMILESCCc1cc(OC)ccc1CN1CC(C)C(N)C1.Cl
InChIInChI=1S/C15H24N2O.ClH/c1-4-12-7-14(18-3)6-5-13(12)9-17-8-11(2)15(16)10-17;/h5-7,11,15H,4,8-10,16H2,1-3H3;1H
InChIKeyBFTBGIFNYLNHRU-UHFFFAOYSA-N
XLogP2.46
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.83
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-chloro-4-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
CID 120909314
1-[(2-ethyl-4-methoxyphenyl)methyl]-3,5-dimethylpiperazine;hydrochloride
CID 120840123
(3S)-1-[(2-ethyl-4-methoxyphenyl)methyl]-3-methylpiperazine
CID 120845894
1-[(2-ethyl-4-methoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120847195
1-[1-[(2-ethyl-4-methoxyphenyl)methyl]piperidin-4-yl]ethanamine
CID 120838238
1-[(2-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine
CID 103575175
1-[(3-bromo-2-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine
CID 120909295
1-[(4-fluoro-2-methylphenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
CID 120908869
1-[(2-hydroxy-4-methoxyphenyl)methyl]-4-methylpyrrolidine-3-carboxylic acid
CID 65065652
(2-ethyl-4-methoxyphenyl)methanamine;hydrochloride
CID 146082087
4-methyl-1-[(2,4,5-trimethylphenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120909872
1-[2-(4-methoxyphenyl)ethyl]-4-methylpyrrolidin-3-amine
CID 103576951

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethyl-4-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of 1-[(2-ethyl-4-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride (CID 120909227) is 1-[(2-ethyl-4-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for 1-[(2-ethyl-4-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for 1-[(2-ethyl-4-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride is CCc1cc(OC)ccc1CN1CC(C)C(N)C1.Cl.
What is the InChIKey of 1-[(2-ethyl-4-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride?
The InChIKey is BFTBGIFNYLNHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O.ClH/c1-4-12-7-14(18-3)6-5-13(12)9-17-8-11(2)15(16)10-17;/h5-7,11,15H,4,8-10,16H2,1-3H3;1H.
What are the key properties of 1-[(2-ethyl-4-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride?
1-[(2-ethyl-4-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride has a molecular weight of 284.83 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethyl-4-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 120909227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).