[1-[2-(4-methoxyphenyl)propyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride

C16H27ClN2O — CID 120780941

IUPAC[1-[2-(4-methoxyphenyl)propyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
SMILESCOc1ccc(C(C)CN2CCC(C)(CN)C2)cc1.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-13(14-4-6-15(19-3)7-5-14)10-18-9-8-16(2,11-17)12-18;/h4-7,13H,8-12,17H2,1-3H3;1H
InChIKeyFRNILGUJIXMAPI-UHFFFAOYSA-N
MW298.86 g/mol
LogP2.89
Rot. Bonds5

About [1-[2-(4-methoxyphenyl)propyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride

[1-[2-(4-methoxyphenyl)propyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride (PubChem CID 120780941) has the molecular formula C16H27ClN2O and a molecular weight of 298.86 g/mol. Its IUPAC name is [1-[2-(4-methoxyphenyl)propyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[2-(4-methoxyphenyl)propyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
PubChem CID120780941
Molecular FormulaC16H27ClN2O
Molecular Weight298.86 g/mol
Exact Mass298.18
IUPAC Name[1-[2-(4-methoxyphenyl)propyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
SMILESCOc1ccc(C(C)CN2CCC(C)(CN)C2)cc1.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-13(14-4-6-15(19-3)7-5-14)10-18-9-8-16(2,11-17)12-18;/h4-7,13H,8-12,17H2,1-3H3;1H
InChIKeyFRNILGUJIXMAPI-UHFFFAOYSA-N
XLogP2.89
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-methyl-1-(2-phenylpropyl)pyrrolidin-3-yl]methanamine
CID 120846989
1-[2-(4-methoxyphenyl)propyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120781971
1-[2-(4-methoxyphenyl)propyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122046366
[1-[(6-methoxynaphthalen-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120780544
[1-[2,2-bis(4-fluorophenyl)ethyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120846909
[1-[(2,4-dimethoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120781034
[3-methyl-1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120772784
[1-[(2-chloro-5-methoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120967311
[1-[2-(4-methoxyphenoxy)ethyl]-4-methylpiperidin-4-yl]methanamine
CID 107160736
[1-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120771767
[1-[(2-chloro-5-methoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120967312
[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 114082076

Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-methoxyphenyl)propyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride?
The IUPAC name of [1-[2-(4-methoxyphenyl)propyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride (CID 120780941) is [1-[2-(4-methoxyphenyl)propyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-[2-(4-methoxyphenyl)propyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride?
The canonical SMILES for [1-[2-(4-methoxyphenyl)propyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride is COc1ccc(C(C)CN2CCC(C)(CN)C2)cc1.Cl.
What is the InChIKey of [1-[2-(4-methoxyphenyl)propyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride?
The InChIKey is FRNILGUJIXMAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O.ClH/c1-13(14-4-6-15(19-3)7-5-14)10-18-9-8-16(2,11-17)12-18;/h4-7,13H,8-12,17H2,1-3H3;1H.
What are the key properties of [1-[2-(4-methoxyphenyl)propyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride?
[1-[2-(4-methoxyphenyl)propyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride has a molecular weight of 298.86 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-methoxyphenyl)propyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 120780941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).