N-[(2,3-dimethoxy-5-methylphenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine

C17H28N2O2 — CID 18714488

IUPACN-[(2,3-dimethoxy-5-methylphenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
SMILESCCN1CCCC1CNCc1cc(C)cc(OC)c1OC
InChIInChI=1S/C17H28N2O2/c1-5-19-8-6-7-15(19)12-18-11-14-9-13(2)10-16(20-3)17(14)21-4/h9-10,15,18H,5-8,11-12H2,1-4H3
InChIKeyUEVAPIZXEHZILQ-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.59
Rot. Bonds7

About N-[(2,3-dimethoxy-5-methylphenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine

N-[(2,3-dimethoxy-5-methylphenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine (PubChem CID 18714488) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-[(2,3-dimethoxy-5-methylphenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine.

Molecular Properties

Compound NameN-[(2,3-dimethoxy-5-methylphenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
PubChem CID18714488
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-[(2,3-dimethoxy-5-methylphenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
SMILESCCN1CCCC1CNCc1cc(C)cc(OC)c1OC
InChIInChI=1S/C17H28N2O2/c1-5-19-8-6-7-15(19)12-18-11-14-9-13(2)10-16(20-3)17(14)21-4/h9-10,15,18H,5-8,11-12H2,1-4H3
InChIKeyUEVAPIZXEHZILQ-UHFFFAOYSA-N
XLogP2.59
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-bromo-2,3-dimethoxyphenyl)methyl]-1-[(2S)-1-ethylpyrrolidin-2-yl]methanamine
CID 29241963
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine
CID 51627828
N-[(3,5-dichloro-2-methoxyphenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine;dihydrochloride
CID 17213687
N-[(2,4-dimethoxyphenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
CID 2989893
4-chloro-2-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-6-methoxyphenol
CID 104645968
N-[(2,5-dimethylphenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
CID 60657747
N-[(2-ethoxy-3-methoxyphenyl)methyl]-1-[(2S)-1-ethylpyrrolidin-2-yl]methanamine
CID 51628251
N-[(6-bromo-2,3-dimethoxyphenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
CID 66538959
1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[(2-methylphenyl)methyl]methanamine
CID 51627850
N-[[3-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine;dihydrochloride
CID 17215911
N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-[(2S)-1-ethylpyrrolidin-2-yl]methanamine
CID 51628263
N-[(4-chloro-2-methylphenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
CID 113461461

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxy-5-methylphenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine?
The IUPAC name of N-[(2,3-dimethoxy-5-methylphenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine (CID 18714488) is N-[(2,3-dimethoxy-5-methylphenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine.
What is the SMILES notation for N-[(2,3-dimethoxy-5-methylphenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine?
The canonical SMILES for N-[(2,3-dimethoxy-5-methylphenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine is CCN1CCCC1CNCc1cc(C)cc(OC)c1OC.
What is the InChIKey of N-[(2,3-dimethoxy-5-methylphenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine?
The InChIKey is UEVAPIZXEHZILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-5-19-8-6-7-15(19)12-18-11-14-9-13(2)10-16(20-3)17(14)21-4/h9-10,15,18H,5-8,11-12H2,1-4H3.
What are the key properties of N-[(2,3-dimethoxy-5-methylphenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine?
N-[(2,3-dimethoxy-5-methylphenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine has a molecular weight of 292.42 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxy-5-methylphenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine is sourced from PubChem (CID 18714488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).