N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-ethyl-2-methylpropan-1-amine

C15H26N2O — CID 65340694

IUPACN-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-ethyl-2-methylpropan-1-amine
SMILESCCN(Cc1ccc(OC)c(CN)c1)CC(C)C
InChIInChI=1S/C15H26N2O/c1-5-17(10-12(2)3)11-13-6-7-15(18-4)14(8-13)9-16/h6-8,12H,5,9-11,16H2,1-4H3
InChIKeyOQYMPRWNACTXHJ-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.63
Rot. Bonds7

About N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-ethyl-2-methylpropan-1-amine

N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-ethyl-2-methylpropan-1-amine (PubChem CID 65340694) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-ethyl-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-ethyl-2-methylpropan-1-amine
PubChem CID65340694
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-ethyl-2-methylpropan-1-amine
SMILESCCN(Cc1ccc(OC)c(CN)c1)CC(C)C
InChIInChI=1S/C15H26N2O/c1-5-17(10-12(2)3)11-13-6-7-15(18-4)14(8-13)9-16/h6-8,12H,5,9-11,16H2,1-4H3
InChIKeyOQYMPRWNACTXHJ-UHFFFAOYSA-N
XLogP2.63
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-ethyl-2-methylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 65338850
N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-ethyl-2,2,2-trifluoroethanamine
CID 65338803
4-[[ethyl(2-methylpropyl)amino]methyl]-2-methoxyphenol
CID 82977222
N-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]-N-ethyl-2-methylpropan-1-amine
CID 60861216
N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-propan-2-ylpentan-1-amine
CID 65338517
4-[[ethyl(2-methylpropyl)amino]methyl]-2-methoxybenzenecarboximidamide
CID 106790577
3-[5-[[ethyl(2-methylpropyl)amino]methyl]-2-methoxyphenyl]prop-2-enoic acid
CID 76908220
2-[[5-(aminomethyl)-2-methoxyphenyl]methyl-methylamino]propan-1-ol
CID 113425969
N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-1-methoxy-N-methylpropan-2-amine
CID 62019115
N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-methyl-2-propan-2-yloxyethanamine
CID 81058780
[2-methoxy-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]phenyl]methanamine
CID 65341080
[5-[[benzyl(methyl)amino]methyl]-2-methoxyphenyl]methanamine
CID 65340886

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-ethyl-2-methylpropan-1-amine?
The IUPAC name of N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-ethyl-2-methylpropan-1-amine (CID 65340694) is N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-ethyl-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-ethyl-2-methylpropan-1-amine?
The canonical SMILES for N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-ethyl-2-methylpropan-1-amine is CCN(Cc1ccc(OC)c(CN)c1)CC(C)C.
What is the InChIKey of N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-ethyl-2-methylpropan-1-amine?
The InChIKey is OQYMPRWNACTXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-5-17(10-12(2)3)11-13-6-7-15(18-4)14(8-13)9-16/h6-8,12H,5,9-11,16H2,1-4H3.
What are the key properties of N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-ethyl-2-methylpropan-1-amine?
N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-ethyl-2-methylpropan-1-amine has a molecular weight of 250.39 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-ethyl-2-methylpropan-1-amine is sourced from PubChem (CID 65340694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).