[3-methyl-1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride

C16H27ClN2O — CID 120772784

IUPAC[3-methyl-1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
SMILESCC(C)Oc1ccc(CN2CCC(C)(CN)C2)cc1.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-13(2)19-15-6-4-14(5-7-15)10-18-9-8-16(3,11-17)12-18;/h4-7,13H,8-12,17H2,1-3H3;1H
InChIKeyVGMBRJMLIITJAU-UHFFFAOYSA-N
MW298.86 g/mol
LogP3.07
Rot. Bonds5

About [3-methyl-1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride

[3-methyl-1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride (PubChem CID 120772784) has the molecular formula C16H27ClN2O and a molecular weight of 298.86 g/mol. Its IUPAC name is [3-methyl-1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[3-methyl-1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
PubChem CID120772784
Molecular FormulaC16H27ClN2O
Molecular Weight298.86 g/mol
Exact Mass298.18
IUPAC Name[3-methyl-1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
SMILESCC(C)Oc1ccc(CN2CCC(C)(CN)C2)cc1.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-13(2)19-15-6-4-14(5-7-15)10-18-9-8-16(3,11-17)12-18;/h4-7,13H,8-12,17H2,1-3H3;1H
InChIKeyVGMBRJMLIITJAU-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(4-fluorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120772034
[1-[(4-tert-butylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120771872
[1-[(6-methoxynaphthalen-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120780544
[1-[(3,4-dimethoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120781185
[1-[(4-bromo-3-methylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120780404
ethyl 2-[4-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]phenoxy]acetate
CID 120780403
[1-[(4-bromo-3-chlorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120847005
[3-methyl-1-[(4-pyrazin-2-yloxyphenyl)methyl]pyrrolidin-3-yl]methanamine
CID 120780919
[3-methyl-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine
CID 120773051
[3-methyl-1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 120777080
[3-methyl-1-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120780374
[3-methyl-1-[(2-propan-2-yloxynaphthalen-1-yl)methyl]pyrrolidin-3-yl]methanamine
CID 120773135

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride?
The IUPAC name of [3-methyl-1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride (CID 120772784) is [3-methyl-1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [3-methyl-1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride?
The canonical SMILES for [3-methyl-1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride is CC(C)Oc1ccc(CN2CCC(C)(CN)C2)cc1.Cl.
What is the InChIKey of [3-methyl-1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride?
The InChIKey is VGMBRJMLIITJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O.ClH/c1-13(2)19-15-6-4-14(5-7-15)10-18-9-8-16(3,11-17)12-18;/h4-7,13H,8-12,17H2,1-3H3;1H.
What are the key properties of [3-methyl-1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride?
[3-methyl-1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride has a molecular weight of 298.86 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 120772784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).