1-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine

C15H23ClN2O2 — CID 120909190

IUPAC1-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine
SMILESCCOc1cc(CN2CC(C)C(N)C2)cc(Cl)c1OC
InChIInChI=1S/C15H23ClN2O2/c1-4-20-14-6-11(5-12(16)15(14)19-3)8-18-7-10(2)13(17)9-18/h5-6,10,13H,4,7-9,17H2,1-3H3
InChIKeyBYPYXGGNMNMLOK-UHFFFAOYSA-N
MW298.81 g/mol
LogP2.53
Rot. Bonds5

About 1-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine

1-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine (PubChem CID 120909190) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 1-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine
PubChem CID120909190
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name1-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine
SMILESCCOc1cc(CN2CC(C)C(N)C2)cc(Cl)c1OC
InChIInChI=1S/C15H23ClN2O2/c1-4-20-14-6-11(5-12(16)15(14)19-3)8-18-7-10(2)13(17)9-18/h5-6,10,13H,4,7-9,17H2,1-3H3
InChIKeyBYPYXGGNMNMLOK-UHFFFAOYSA-N
XLogP2.53
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
CID 120909053
1-[(3-iodo-4,5-dimethoxyphenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
CID 120909766
1-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]-4-methylpyrrolidin-3-amine
CID 120909204
2-[4-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-2-ethoxyphenoxy]-N,N-di(propan-2-yl)acetamide;hydrochloride
CID 120909628
3-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-1-methylpiperidin-4-ol
CID 110537925
1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-4-methylpyrrolidin-3-amine
CID 103576615
1-[[3-chloro-4-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-methylpyrrolidin-3-amine
CID 120909283
2-[4-[(3-aminoazetidin-1-yl)methyl]-2-chloro-6-methoxyphenoxy]acetamide
CID 65244504
1-[(3-bromo-4-chlorophenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
CID 120909523
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-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
CID 120908936

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine?
The IUPAC name of 1-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine (CID 120909190) is 1-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine?
The canonical SMILES for 1-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine is CCOc1cc(CN2CC(C)C(N)C2)cc(Cl)c1OC.
What is the InChIKey of 1-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine?
The InChIKey is BYPYXGGNMNMLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-4-20-14-6-11(5-12(16)15(14)19-3)8-18-7-10(2)13(17)9-18/h5-6,10,13H,4,7-9,17H2,1-3H3.
What are the key properties of 1-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine?
1-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine has a molecular weight of 298.81 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine is sourced from PubChem (CID 120909190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).