N-[[4-(aminomethyl)phenyl]methyl]-1-methoxy-N-methylpropan-2-amine

C13H22N2O — CID 61453087

IUPACN-[[4-(aminomethyl)phenyl]methyl]-1-methoxy-N-methylpropan-2-amine
SMILESCOCC(C)N(C)Cc1ccc(CN)cc1
InChIInChI=1S/C13H22N2O/c1-11(10-16-3)15(2)9-13-6-4-12(8-14)5-7-13/h4-7,11H,8-10,14H2,1-3H3
InChIKeyDPMCHGHWHJUYTK-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.61
Rot. Bonds6

About N-[[4-(aminomethyl)phenyl]methyl]-1-methoxy-N-methylpropan-2-amine

N-[[4-(aminomethyl)phenyl]methyl]-1-methoxy-N-methylpropan-2-amine (PubChem CID 61453087) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-[[4-(aminomethyl)phenyl]methyl]-1-methoxy-N-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)phenyl]methyl]-1-methoxy-N-methylpropan-2-amine
PubChem CID61453087
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-[[4-(aminomethyl)phenyl]methyl]-1-methoxy-N-methylpropan-2-amine
SMILESCOCC(C)N(C)Cc1ccc(CN)cc1
InChIInChI=1S/C13H22N2O/c1-11(10-16-3)15(2)9-13-6-4-12(8-14)5-7-13/h4-7,11H,8-10,14H2,1-3H3
InChIKeyDPMCHGHWHJUYTK-UHFFFAOYSA-N
XLogP1.61
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-1-methoxy-N-methylpropan-2-amine
CID 62019115
2-[[4-(aminomethyl)phenyl]methyl-methylamino]propan-1-ol
CID 104551473
1-methoxy-N-methyl-N-[[4-[2-(propan-2-ylamino)ethyl]phenyl]methyl]propan-2-amine
CID 105347285
4-[[1-methoxypropan-2-yl(methyl)amino]methyl]benzenecarboximidamide
CID 54946663
N-[[5-(aminomethyl)thiophen-2-yl]methyl]-1-methoxy-N-methylpropan-2-amine
CID 107556230
N-[[4-(aminomethyl)phenyl]methyl]-N-(2-methoxyethyl)butan-2-amine
CID 55001040
2-N-[(4-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine
CID 61420599
N-[(3-bromo-4-methoxyphenyl)methyl]-1-methoxy-N-methylpropan-2-amine
CID 60964408
N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-1-methoxy-N-methylpropan-2-amine
CID 64769908
5-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methylpyridin-2-amine
CID 61450095
N-[[4-(aminomethyl)phenyl]methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine
CID 39149176
5-[[1-methoxypropan-2-yl(methyl)amino]methyl]pyrazin-2-amine
CID 103055836

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-1-methoxy-N-methylpropan-2-amine?
The IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-1-methoxy-N-methylpropan-2-amine (CID 61453087) is N-[[4-(aminomethyl)phenyl]methyl]-1-methoxy-N-methylpropan-2-amine.
What is the SMILES notation for N-[[4-(aminomethyl)phenyl]methyl]-1-methoxy-N-methylpropan-2-amine?
The canonical SMILES for N-[[4-(aminomethyl)phenyl]methyl]-1-methoxy-N-methylpropan-2-amine is COCC(C)N(C)Cc1ccc(CN)cc1.
What is the InChIKey of N-[[4-(aminomethyl)phenyl]methyl]-1-methoxy-N-methylpropan-2-amine?
The InChIKey is DPMCHGHWHJUYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-11(10-16-3)15(2)9-13-6-4-12(8-14)5-7-13/h4-7,11H,8-10,14H2,1-3H3.
What are the key properties of N-[[4-(aminomethyl)phenyl]methyl]-1-methoxy-N-methylpropan-2-amine?
N-[[4-(aminomethyl)phenyl]methyl]-1-methoxy-N-methylpropan-2-amine has a molecular weight of 222.33 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)phenyl]methyl]-1-methoxy-N-methylpropan-2-amine is sourced from PubChem (CID 61453087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).