N-[[4-methoxy-3-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methyl]ethanamine

C16H26N2O — CID 62019466

IUPACN-[[4-methoxy-3-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methyl]ethanamine
SMILESCCNCc1ccc(OC)c(CN2CCCC2C)c1
InChIInChI=1S/C16H26N2O/c1-4-17-11-14-7-8-16(19-3)15(10-14)12-18-9-5-6-13(18)2/h7-8,10,13,17H,4-6,9,11-12H2,1-3H3
InChIKeyMFKLUASISYANOE-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.79
Rot. Bonds6

About N-[[4-methoxy-3-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methyl]ethanamine

N-[[4-methoxy-3-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methyl]ethanamine (PubChem CID 62019466) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[[4-methoxy-3-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-methoxy-3-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methyl]ethanamine
PubChem CID62019466
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[[4-methoxy-3-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methyl]ethanamine
SMILESCCNCc1ccc(OC)c(CN2CCCC2C)c1
InChIInChI=1S/C16H26N2O/c1-4-17-11-14-7-8-16(19-3)15(10-14)12-18-9-5-6-13(18)2/h7-8,10,13,17H,4-6,9,11-12H2,1-3H3
InChIKeyMFKLUASISYANOE-UHFFFAOYSA-N
XLogP2.79
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}

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Related Compounds

N-[[4-methoxy-3-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine
CID 62017214
[4-methoxy-3-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methanol
CID 62017644
4-methoxy-3-[(2-methylpyrrolidin-1-yl)methyl]benzoic acid
CID 62018782
N-[[4-methoxy-3-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenyl]methyl]ethanamine
CID 62988833
[2-methoxy-5-[(2-methylpiperidin-1-yl)methyl]phenyl]methanamine
CID 65341173
1-[3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)-4-methoxyphenyl]-N-methylmethanamine
CID 65320691
N-[[4-fluoro-3-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methyl]propan-1-amine
CID 107453703
N-[[4-methoxy-3-(1,4-oxazepan-4-ylmethyl)phenyl]methyl]ethanamine
CID 62986419
1-[4-methoxy-3-[(2-propylpiperidin-1-yl)methyl]phenyl]-N-methylmethanamine
CID 83053445
2-methoxy-5-[(2-methylazepan-1-yl)methyl]phenol
CID 82980366
N-[[3-(cyclopentylsulfinylmethyl)-4-methoxyphenyl]methyl]ethanamine
CID 64654833
[3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-4-methoxyphenyl]methanol
CID 62887966

Frequently Asked Questions

What is the IUPAC name of N-[[4-methoxy-3-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-methoxy-3-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methyl]ethanamine (CID 62019466) is N-[[4-methoxy-3-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-methoxy-3-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-methoxy-3-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methyl]ethanamine is CCNCc1ccc(OC)c(CN2CCCC2C)c1.
What is the InChIKey of N-[[4-methoxy-3-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methyl]ethanamine?
The InChIKey is MFKLUASISYANOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-17-11-14-7-8-16(19-3)15(10-14)12-18-9-5-6-13(18)2/h7-8,10,13,17H,4-6,9,11-12H2,1-3H3.
What are the key properties of N-[[4-methoxy-3-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methyl]ethanamine?
N-[[4-methoxy-3-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methyl]ethanamine has a molecular weight of 262.40 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methoxy-3-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methyl]ethanamine is sourced from PubChem (CID 62019466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).