[5-(3-methoxy-2-propan-2-yloxyphenyl)-1-methylpyrrolidin-3-yl]methanamine

C16H26N2O2 — CID 117446721

IUPAC[5-(3-methoxy-2-propan-2-yloxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCOc1cccc(C2CC(CN)CN2C)c1OC(C)C
InChIInChI=1S/C16H26N2O2/c1-11(2)20-16-13(6-5-7-15(16)19-4)14-8-12(9-17)10-18(14)3/h5-7,11-12,14H,8-10,17H2,1-4H3
InChIKeyJRRRQUQOEFXHMW-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.43
Rot. Bonds5

About [5-(3-methoxy-2-propan-2-yloxyphenyl)-1-methylpyrrolidin-3-yl]methanamine

[5-(3-methoxy-2-propan-2-yloxyphenyl)-1-methylpyrrolidin-3-yl]methanamine (PubChem CID 117446721) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is [5-(3-methoxy-2-propan-2-yloxyphenyl)-1-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[5-(3-methoxy-2-propan-2-yloxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
PubChem CID117446721
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name[5-(3-methoxy-2-propan-2-yloxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCOc1cccc(C2CC(CN)CN2C)c1OC(C)C
InChIInChI=1S/C16H26N2O2/c1-11(2)20-16-13(6-5-7-15(16)19-4)14-8-12(9-17)10-18(14)3/h5-7,11-12,14H,8-10,17H2,1-4H3
InChIKeyJRRRQUQOEFXHMW-UHFFFAOYSA-N
XLogP2.43
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(3-methoxy-2-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117341079
[1-methyl-5-(2,3,4-trimethoxyphenyl)pyrrolidin-3-yl]methanamine
CID 117450281
[5-(2-cyclopentyloxy-3-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117489816
[5-(2-methoxy-3-methylsulfanylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117420365
6-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-2,3-dimethoxyphenol
CID 117420119
[5-(7-methoxy-1H-indol-4-yl)-1-methylpyrrolidin-3-yl]methanamine
CID 117402429
[5-(2,3-difluoro-4-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117394097
[5-(2,3-dimethoxy-6-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117415862
[5-[2-(1-methoxyethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine
CID 117117096
[5-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-1-methylpyrrolidin-3-yl]methanamine
CID 117438845
[5-(2-methoxynaphthalen-1-yl)-1-methylpyrrolidin-3-yl]methanamine
CID 117429310
[5-[3-chloro-2-(cyclopropylmethoxy)phenyl]-1-methylpyrrolidin-3-yl]methanamine
CID 117475479

Frequently Asked Questions

What is the IUPAC name of [5-(3-methoxy-2-propan-2-yloxyphenyl)-1-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [5-(3-methoxy-2-propan-2-yloxyphenyl)-1-methylpyrrolidin-3-yl]methanamine (CID 117446721) is [5-(3-methoxy-2-propan-2-yloxyphenyl)-1-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [5-(3-methoxy-2-propan-2-yloxyphenyl)-1-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [5-(3-methoxy-2-propan-2-yloxyphenyl)-1-methylpyrrolidin-3-yl]methanamine is COc1cccc(C2CC(CN)CN2C)c1OC(C)C.
What is the InChIKey of [5-(3-methoxy-2-propan-2-yloxyphenyl)-1-methylpyrrolidin-3-yl]methanamine?
The InChIKey is JRRRQUQOEFXHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-11(2)20-16-13(6-5-7-15(16)19-4)14-8-12(9-17)10-18(14)3/h5-7,11-12,14H,8-10,17H2,1-4H3.
What are the key properties of [5-(3-methoxy-2-propan-2-yloxyphenyl)-1-methylpyrrolidin-3-yl]methanamine?
[5-(3-methoxy-2-propan-2-yloxyphenyl)-1-methylpyrrolidin-3-yl]methanamine has a molecular weight of 278.40 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-methoxy-2-propan-2-yloxyphenyl)-1-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 117446721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).