N-[(2,4-dimethoxyphenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine

C16H26N2O2 — CID 2989893

IUPACN-[(2,4-dimethoxyphenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
SMILESCCN1CCCC1CNCc1ccc(OC)cc1OC
InChIInChI=1S/C16H26N2O2/c1-4-18-9-5-6-14(18)12-17-11-13-7-8-15(19-2)10-16(13)20-3/h7-8,10,14,17H,4-6,9,11-12H2,1-3H3
InChIKeyFTTCVNITSGSMMM-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.28
Rot. Bonds7

About N-[(2,4-dimethoxyphenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine

N-[(2,4-dimethoxyphenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine (PubChem CID 2989893) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
PubChem CID2989893
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
SMILESCCN1CCCC1CNCc1ccc(OC)cc1OC
InChIInChI=1S/C16H26N2O2/c1-4-18-9-5-6-14(18)12-17-11-13-7-8-15(19-2)10-16(13)20-3/h7-8,10,14,17H,4-6,9,11-12H2,1-3H3
InChIKeyFTTCVNITSGSMMM-UHFFFAOYSA-N
XLogP2.28
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(4-methoxyphenyl)methyl]methanamine
CID 834575
N-[(2,3-dimethoxy-5-methylphenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
CID 18714488
N-[(5-bromo-2,3-dimethoxyphenyl)methyl]-1-[(2S)-1-ethylpyrrolidin-2-yl]methanamine
CID 29241963
N-[(2-ethoxy-3-methoxyphenyl)methyl]-1-[(2S)-1-ethylpyrrolidin-2-yl]methanamine
CID 51628251
4-chloro-2-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-6-methoxyphenol
CID 104645968
1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]methanamine
CID 94514892
N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-[(2S)-1-ethylpyrrolidin-2-yl]methanamine
CID 51628263
N-[(2,4-dimethoxyphenyl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 60856902
N-[(4-chloro-2-methylphenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
CID 113461461
4-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]benzene-1,3-diol
CID 43195840
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2,5-dimethoxybenzenesulfonamide
CID 95571348
1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[(2-methylphenyl)methyl]methanamine
CID 51627850

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine (CID 2989893) is N-[(2,4-dimethoxyphenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine is CCN1CCCC1CNCc1ccc(OC)cc1OC.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine?
The InChIKey is FTTCVNITSGSMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-18-9-5-6-14(18)12-17-11-13-7-8-15(19-2)10-16(13)20-3/h7-8,10,14,17H,4-6,9,11-12H2,1-3H3.
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine?
N-[(2,4-dimethoxyphenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine has a molecular weight of 278.40 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine is sourced from PubChem (CID 2989893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).