N-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine

C24H34N2O2 — CID 51986428

IUPACN-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine
SMILESCCOc1cc(CNC[C@H]2CCCN2CC)ccc1OCc1ccccc1C
InChIInChI=1S/C24H34N2O2/c1-4-26-14-8-11-22(26)17-25-16-20-12-13-23(24(15-20)27-5-2)28-18-21-10-7-6-9-19(21)3/h6-7,9-10,12-13,15,22,25H,4-5,8,11,14,16-18H2,1-3H3/t22-/m1/s1
InChIKeyBUEMSCKTCRVBLH-JOCHJYFZSA-N
MW382.55 g/mol
LogP4.55
Rot. Bonds10

About N-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine

N-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine (PubChem CID 51986428) has the molecular formula C24H34N2O2 and a molecular weight of 382.55 g/mol. Its IUPAC name is N-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine.

Molecular Properties

Compound NameN-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine
PubChem CID51986428
Molecular FormulaC24H34N2O2
Molecular Weight382.55 g/mol
Exact Mass382.26
IUPAC NameN-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine
SMILESCCOc1cc(CNC[C@H]2CCCN2CC)ccc1OCc1ccccc1C
InChIInChI=1S/C24H34N2O2/c1-4-26-14-8-11-22(26)17-25-16-20-12-13-23(24(15-20)27-5-2)28-18-21-10-7-6-9-19(21)3/h6-7,9-10,12-13,15,22,25H,4-5,8,11,14,16-18H2,1-3H3/t22-/m1/s1
InChIKeyBUEMSCKTCRVBLH-JOCHJYFZSA-N
XLogP4.55
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethylpyrrolidin-2-yl)-N-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]methanamine
CID 17213676
1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]methanamine
CID 51627790
N-[(3,4-diethoxyphenyl)methyl]-1-[(2S)-1-ethylpyrrolidin-2-yl]methanamine
CID 51628283
N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-[(2S)-1-ethylpyrrolidin-2-yl]methanamine
CID 51628263
N-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-[(2S)-1-ethylpyrrolidin-2-yl]methanamine
CID 51986460
1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[(2-methylphenyl)methyl]methanamine
CID 51627850
2-[2-ethoxy-4-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]phenoxy]-N-phenylacetamide
CID 60590256
N-[(3-chloro-4-phenylmethoxyphenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
CID 17215964
2-[2-ethoxy-4-[[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 51986488
1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(3-methoxy-4-propoxyphenyl)methyl]methanamine
CID 29241785
1-(1-ethylpyrrolidin-2-yl)-N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]methanamine
CID 17213818
1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]methanamine
CID 51628113

Frequently Asked Questions

What is the IUPAC name of N-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine?
The IUPAC name of N-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine (CID 51986428) is N-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine.
What is the SMILES notation for N-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine?
The canonical SMILES for N-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine is CCOc1cc(CNC[C@H]2CCCN2CC)ccc1OCc1ccccc1C.
What is the InChIKey of N-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine?
The InChIKey is BUEMSCKTCRVBLH-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H34N2O2/c1-4-26-14-8-11-22(26)17-25-16-20-12-13-23(24(15-20)27-5-2)28-18-21-10-7-6-9-19(21)3/h6-7,9-10,12-13,15,22,25H,4-5,8,11,14,16-18H2,1-3H3/t22-/m1/s1.
What are the key properties of N-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine?
N-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine has a molecular weight of 382.55 g/mol, XLogP of 4.55, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine is sourced from PubChem (CID 51986428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).