1-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride

C16H27ClN2O2 — CID 120908867

IUPAC1-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
SMILESCOc1cccc(CN2CC(C)C(N)C2)c1OC(C)C.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-11(2)20-16-13(6-5-7-15(16)19-4)9-18-8-12(3)14(17)10-18;/h5-7,11-12,14H,8-10,17H2,1-4H3;1H
InChIKeyLIGSRHTUQXPKQL-UHFFFAOYSA-N
MW314.86 g/mol
LogP2.68
Rot. Bonds5

About 1-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride

1-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride (PubChem CID 120908867) has the molecular formula C16H27ClN2O2 and a molecular weight of 314.86 g/mol. Its IUPAC name is 1-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
PubChem CID120908867
Molecular FormulaC16H27ClN2O2
Molecular Weight314.86 g/mol
Exact Mass314.18
IUPAC Name1-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
SMILESCOc1cccc(CN2CC(C)C(N)C2)c1OC(C)C.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-11(2)20-16-13(6-5-7-15(16)19-4)9-18-8-12(3)14(17)10-18;/h5-7,11-12,14H,8-10,17H2,1-4H3;1H
InChIKeyLIGSRHTUQXPKQL-UHFFFAOYSA-N
XLogP2.68
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine
CID 103575175
1-[(3-bromo-2-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine
CID 120909295
1-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]piperidine-3-carboxylic acid
CID 54848176
1-[(2-bromophenyl)methyl]-4-methylpyrrolidin-3-amine
CID 103575185
1-[(2-chloro-4-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
CID 120909314
5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-2-methoxyphenol;hydrochloride
CID 120909606
1-[(2-ethyl-4-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
CID 120909227
4-methyl-1-[(2,4,5-trimethylphenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120909872
N-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]-2-methylpropan-1-amine
CID 39355527
1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-amine
CID 104792857
(3S,4R)-1-[(2-methoxyphenyl)methyl]-4-phenylpyrrolidin-3-amine
CID 120770365
1-[(3-iodo-4,5-dimethoxyphenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
CID 120909766

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of 1-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride (CID 120908867) is 1-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for 1-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for 1-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride is COc1cccc(CN2CC(C)C(N)C2)c1OC(C)C.Cl.
What is the InChIKey of 1-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride?
The InChIKey is LIGSRHTUQXPKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2.ClH/c1-11(2)20-16-13(6-5-7-15(16)19-4)9-18-8-12(3)14(17)10-18;/h5-7,11-12,14H,8-10,17H2,1-4H3;1H.
What are the key properties of 1-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride?
1-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride has a molecular weight of 314.86 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 120908867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).