[1-[(2-ethoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride

C15H25ClN2O — CID 120780821

IUPAC[1-[(2-ethoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
SMILESCCOc1ccccc1CN1CCC(C)(CN)C1.Cl
InChIInChI=1S/C15H24N2O.ClH/c1-3-18-14-7-5-4-6-13(14)10-17-9-8-15(2,11-16)12-17;/h4-7H,3,8-12,16H2,1-2H3;1H
InChIKeySAYMIORUIFGMJW-UHFFFAOYSA-N
MW284.83 g/mol
LogP2.68
Rot. Bonds5

About [1-[(2-ethoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride

[1-[(2-ethoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride (PubChem CID 120780821) has the molecular formula C15H25ClN2O and a molecular weight of 284.83 g/mol. Its IUPAC name is [1-[(2-ethoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[(2-ethoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
PubChem CID120780821
Molecular FormulaC15H25ClN2O
Molecular Weight284.83 g/mol
Exact Mass284.17
IUPAC Name[1-[(2-ethoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
SMILESCCOc1ccccc1CN1CCC(C)(CN)C1.Cl
InChIInChI=1S/C15H24N2O.ClH/c1-3-18-14-7-5-4-6-13(14)10-17-9-8-15(2,11-16)12-17;/h4-7H,3,8-12,16H2,1-2H3;1H
InChIKeySAYMIORUIFGMJW-UHFFFAOYSA-N
XLogP2.68
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.83
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-methyl-1-[(2-pyridin-3-yloxyphenyl)methyl]pyrrolidin-3-yl]methanamine;dihydrochloride
CID 120773386
2-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-N,N-dimethylaniline;hydrochloride
CID 120780771
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-(2-ethoxyphenyl)propan-1-one;hydrochloride
CID 120808590
[1-[(2-methoxy-4-phenylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120780442
[1-[(2,4-dimethoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120781034
1-[(2-ethoxyphenyl)methyl]-4-methylazepan-4-ol
CID 107408415
[1-[(5-bromo-2-propoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120781277
[3-methyl-1-[(2,4,5-trimethoxyphenyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120780660
[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]methanamine
CID 54793651
[1-[[5-bromo-2-(pyridin-2-ylmethoxy)phenyl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120780454
[1-[(2,6-dimethylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120773794
[1-[(4-fluorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120772034

Frequently Asked Questions

What is the IUPAC name of [1-[(2-ethoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride?
The IUPAC name of [1-[(2-ethoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride (CID 120780821) is [1-[(2-ethoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-[(2-ethoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride?
The canonical SMILES for [1-[(2-ethoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride is CCOc1ccccc1CN1CCC(C)(CN)C1.Cl.
What is the InChIKey of [1-[(2-ethoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride?
The InChIKey is SAYMIORUIFGMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O.ClH/c1-3-18-14-7-5-4-6-13(14)10-17-9-8-15(2,11-16)12-17;/h4-7H,3,8-12,16H2,1-2H3;1H.
What are the key properties of [1-[(2-ethoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride?
[1-[(2-ethoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride has a molecular weight of 284.83 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-ethoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 120780821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).