1-[2-(2-chloro-6-methoxyphenyl)-1-propan-2-ylpyrrolidin-3-yl]-N-methylmethanamine

C16H25ClN2O — CID 104818691

IUPAC1-[2-(2-chloro-6-methoxyphenyl)-1-propan-2-ylpyrrolidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCN(C(C)C)C1c1c(Cl)cccc1OC
InChIInChI=1S/C16H25ClN2O/c1-11(2)19-9-8-12(10-18-3)16(19)15-13(17)6-5-7-14(15)20-4/h5-7,11-12,16,18H,8-10H2,1-4H3
InChIKeyXFEPWSXSKPPMJA-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.34
Rot. Bonds5

About 1-[2-(2-chloro-6-methoxyphenyl)-1-propan-2-ylpyrrolidin-3-yl]-N-methylmethanamine

1-[2-(2-chloro-6-methoxyphenyl)-1-propan-2-ylpyrrolidin-3-yl]-N-methylmethanamine (PubChem CID 104818691) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 1-[2-(2-chloro-6-methoxyphenyl)-1-propan-2-ylpyrrolidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(2-chloro-6-methoxyphenyl)-1-propan-2-ylpyrrolidin-3-yl]-N-methylmethanamine
PubChem CID104818691
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name1-[2-(2-chloro-6-methoxyphenyl)-1-propan-2-ylpyrrolidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCN(C(C)C)C1c1c(Cl)cccc1OC
InChIInChI=1S/C16H25ClN2O/c1-11(2)19-9-8-12(10-18-3)16(19)15-13(17)6-5-7-14(15)20-4/h5-7,11-12,16,18H,8-10H2,1-4H3
InChIKeyXFEPWSXSKPPMJA-UHFFFAOYSA-N
XLogP3.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-chloro-6-methoxyphenyl)-1-ethylpyrrolidin-3-yl]-N-methylmethanamine
CID 104818684
2-methoxy-5-[3-(methylaminomethyl)-1-propan-2-ylpyrrolidin-2-yl]benzonitrile
CID 65336360
N-[[2-(2-chloro-6-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]cyclopropanamine
CID 104818671
1-[2-(2,6-dimethoxyphenyl)cyclobutyl]-N-methylmethanamine
CID 116811386
1-[2-(3-bromofuran-2-yl)-1-propan-2-ylpyrrolidin-3-yl]-N-methylmethanamine
CID 106889418
1-[2-(3-chloro-4-methylphenyl)-1-propan-2-ylpiperidin-3-yl]-N-methylmethanamine
CID 106818565
2-(2-chloro-6-methoxyphenyl)-1-cyclopropylpyrrolidin-3-amine
CID 113456591
1-(4-methoxy-2,3-dihydro-1-benzothiophen-3-yl)-N-methylmethanamine
CID 117200321
2-(2-chloro-6-methoxyphenyl)cyclopropan-1-amine
CID 104817620
[2-(2-chloro-6-methoxyphenyl)-1-propylazepan-3-yl]methanamine
CID 104818727
6-amino-7-(2-chloro-6-methoxyphenyl)-1-methylazepan-2-one
CID 104818738
1-[2-(3-chloro-4-methoxyphenyl)-1-ethylpiperidin-3-yl]-N-methylmethanamine
CID 65021313

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloro-6-methoxyphenyl)-1-propan-2-ylpyrrolidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(2-chloro-6-methoxyphenyl)-1-propan-2-ylpyrrolidin-3-yl]-N-methylmethanamine (CID 104818691) is 1-[2-(2-chloro-6-methoxyphenyl)-1-propan-2-ylpyrrolidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(2-chloro-6-methoxyphenyl)-1-propan-2-ylpyrrolidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(2-chloro-6-methoxyphenyl)-1-propan-2-ylpyrrolidin-3-yl]-N-methylmethanamine is CNCC1CCN(C(C)C)C1c1c(Cl)cccc1OC.
What is the InChIKey of 1-[2-(2-chloro-6-methoxyphenyl)-1-propan-2-ylpyrrolidin-3-yl]-N-methylmethanamine?
The InChIKey is XFEPWSXSKPPMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-11(2)19-9-8-12(10-18-3)16(19)15-13(17)6-5-7-14(15)20-4/h5-7,11-12,16,18H,8-10H2,1-4H3.
What are the key properties of 1-[2-(2-chloro-6-methoxyphenyl)-1-propan-2-ylpyrrolidin-3-yl]-N-methylmethanamine?
1-[2-(2-chloro-6-methoxyphenyl)-1-propan-2-ylpyrrolidin-3-yl]-N-methylmethanamine has a molecular weight of 296.84 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloro-6-methoxyphenyl)-1-propan-2-ylpyrrolidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 104818691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).