[1-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride

C17H29ClN2O3 — CID 120780613

IUPAC[1-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
SMILESCOCCOc1ccc(CN2CCC(C)(CN)C2)cc1OC.Cl
InChIInChI=1S/C17H28N2O3.ClH/c1-17(12-18)6-7-19(13-17)11-14-4-5-15(16(10-14)21-3)22-9-8-20-2;/h4-5,10H,6-9,11-13,18H2,1-3H3;1H
InChIKeyLMATVTLSCNYNFA-UHFFFAOYSA-N
MW344.88 g/mol
LogP2.31
Rot. Bonds8

About [1-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride

[1-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride (PubChem CID 120780613) has the molecular formula C17H29ClN2O3 and a molecular weight of 344.88 g/mol. Its IUPAC name is [1-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
PubChem CID120780613
Molecular FormulaC17H29ClN2O3
Molecular Weight344.88 g/mol
Exact Mass344.19
IUPAC Name[1-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
SMILESCOCCOc1ccc(CN2CCC(C)(CN)C2)cc1OC.Cl
InChIInChI=1S/C17H28N2O3.ClH/c1-17(12-18)6-7-19(13-17)11-14-4-5-15(16(10-14)21-3)22-9-8-20-2;/h4-5,10H,6-9,11-13,18H2,1-3H3;1H
InChIKeyLMATVTLSCNYNFA-UHFFFAOYSA-N
XLogP2.31
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.88
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[1-[(3,4-dimethoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120781185
[1-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120780515
2-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane
CID 120906848
[1-[(6-methoxynaphthalen-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120780544
[1-[[6-(2-methoxyethoxy)-1,3-benzodioxol-5-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120781000
[3-methyl-1-[(2,4,5-trimethoxyphenyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120780660
[3-methoxy-4-(2-methoxyethoxy)phenyl]methanamine;hydrochloride
CID 43810786
[1-[(2,4-dimethoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120781034
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone;hydrochloride
CID 120806090
[1-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120780742
[1-[(4-bromo-3-methylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120780404
1-[(3,4-dimethoxyphenyl)methyl]-4-methylpiperidin-4-amine
CID 82122424

Frequently Asked Questions

What is the IUPAC name of [1-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride?
The IUPAC name of [1-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride (CID 120780613) is [1-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride?
The canonical SMILES for [1-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride is COCCOc1ccc(CN2CCC(C)(CN)C2)cc1OC.Cl.
What is the InChIKey of [1-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride?
The InChIKey is LMATVTLSCNYNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3.ClH/c1-17(12-18)6-7-19(13-17)11-14-4-5-15(16(10-14)21-3)22-9-8-20-2;/h4-5,10H,6-9,11-13,18H2,1-3H3;1H.
What are the key properties of [1-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride?
[1-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride has a molecular weight of 344.88 g/mol, XLogP of 2.31, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 120780613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).