1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(3-propoxyphenyl)methyl]methanamine

C17H28N2O — CID 29241340

IUPAC1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(3-propoxyphenyl)methyl]methanamine
SMILESCCCOc1cccc(CNC[C@H]2CCCN2CC)c1
InChIInChI=1S/C17H28N2O/c1-3-11-20-17-9-5-7-15(12-17)13-18-14-16-8-6-10-19(16)4-2/h5,7,9,12,16,18H,3-4,6,8,10-11,13-14H2,1-2H3/t16-/m1/s1
InChIKeyGGRCBDXYRQRLCM-MRXNPFEDSA-N
MW276.42 g/mol
LogP3.05
Rot. Bonds8

About 1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(3-propoxyphenyl)methyl]methanamine

1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(3-propoxyphenyl)methyl]methanamine (PubChem CID 29241340) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(3-propoxyphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(3-propoxyphenyl)methyl]methanamine
PubChem CID29241340
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(3-propoxyphenyl)methyl]methanamine
SMILESCCCOc1cccc(CNC[C@H]2CCCN2CC)c1
InChIInChI=1S/C17H28N2O/c1-3-11-20-17-9-5-7-15(12-17)13-18-14-16-8-6-10-19(16)4-2/h5,7,9,12,16,18H,3-4,6,8,10-11,13-14H2,1-2H3/t16-/m1/s1
InChIKeyGGRCBDXYRQRLCM-MRXNPFEDSA-N
XLogP3.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]phenoxy]acetonitrile
CID 43764758
1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[[3-[(3-methylphenyl)methoxy]phenyl]methyl]methanamine
CID 51986497
1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]methanamine
CID 51628103
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-3-[(3-propoxyphenyl)methyl]guanidine
CID 111262013
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-3-[(3-propoxyphenyl)methyl]guanidine;hydroiodide
CID 111262012
1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]methanamine
CID 51628113
1-(1-ethylpyrrolidin-2-yl)-N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]methanamine
CID 17213818
N-[(3-bromo-4-propoxyphenyl)methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine
CID 29241418
1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(3-methoxy-4-propoxyphenyl)methyl]methanamine
CID 29241785
N-[(3-bromophenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
CID 17213784
N-[(3-ethoxyphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 113227158
1-(1,4-dimethylpiperazin-2-yl)-N-[(3-propoxyphenyl)methyl]methanamine
CID 63897239

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(3-propoxyphenyl)methyl]methanamine?
The IUPAC name of 1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(3-propoxyphenyl)methyl]methanamine (CID 29241340) is 1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(3-propoxyphenyl)methyl]methanamine.
What is the SMILES notation for 1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(3-propoxyphenyl)methyl]methanamine?
The canonical SMILES for 1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(3-propoxyphenyl)methyl]methanamine is CCCOc1cccc(CNC[C@H]2CCCN2CC)c1.
What is the InChIKey of 1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(3-propoxyphenyl)methyl]methanamine?
The InChIKey is GGRCBDXYRQRLCM-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-11-20-17-9-5-7-15(12-17)13-18-14-16-8-6-10-19(16)4-2/h5,7,9,12,16,18H,3-4,6,8,10-11,13-14H2,1-2H3/t16-/m1/s1.
What are the key properties of 1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(3-propoxyphenyl)methyl]methanamine?
1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(3-propoxyphenyl)methyl]methanamine has a molecular weight of 276.42 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(3-propoxyphenyl)methyl]methanamine is sourced from PubChem (CID 29241340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).