N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-1-methoxy-N-methylpropan-2-amine

C14H24N2O2 — CID 62019115

IUPACN-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-1-methoxy-N-methylpropan-2-amine
SMILESCOCC(C)N(C)Cc1cc(CN)ccc1OC
InChIInChI=1S/C14H24N2O2/c1-11(10-17-3)16(2)9-13-7-12(8-15)5-6-14(13)18-4/h5-7,11H,8-10,15H2,1-4H3
InChIKeyVIAGJGFIYJTWNK-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.62
Rot. Bonds7

About N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-1-methoxy-N-methylpropan-2-amine

N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-1-methoxy-N-methylpropan-2-amine (PubChem CID 62019115) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-1-methoxy-N-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-1-methoxy-N-methylpropan-2-amine
PubChem CID62019115
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-1-methoxy-N-methylpropan-2-amine
SMILESCOCC(C)N(C)Cc1cc(CN)ccc1OC
InChIInChI=1S/C14H24N2O2/c1-11(10-17-3)16(2)9-13-7-12(8-15)5-6-14(13)18-4/h5-7,11H,8-10,15H2,1-4H3
InChIKeyVIAGJGFIYJTWNK-UHFFFAOYSA-N
XLogP1.62
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[5-(aminomethyl)-2-methoxyphenyl]methyl-methylamino]propan-1-ol
CID 113425969
N-[[4-(aminomethyl)phenyl]methyl]-1-methoxy-N-methylpropan-2-amine
CID 61453087
[3-[(dimethylamino)methyl]-4-methoxyphenyl]methanamine;hydrochloride
CID 156589399
N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-1-methoxy-N-methylpropan-2-amine
CID 64769908
N-[(3-bromo-4-methoxyphenyl)methyl]-1-methoxy-N-methylpropan-2-amine
CID 60964408
N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N,4-dimethylpentan-2-amine
CID 55001670
N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-ethyl-2-methylpropan-1-amine
CID 65340694
N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 65338850
3-N-[(5-chloro-2-methoxyphenyl)methyl]-3-N-methylbutane-1,3-diamine
CID 63225677
N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N,3,5-trimethylaniline
CID 62018373
N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N,4-dimethylaniline
CID 62018742
N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-2-methoxy-N-methylaniline
CID 62018180

Frequently Asked Questions

What is the IUPAC name of N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-1-methoxy-N-methylpropan-2-amine?
The IUPAC name of N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-1-methoxy-N-methylpropan-2-amine (CID 62019115) is N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-1-methoxy-N-methylpropan-2-amine.
What is the SMILES notation for N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-1-methoxy-N-methylpropan-2-amine?
The canonical SMILES for N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-1-methoxy-N-methylpropan-2-amine is COCC(C)N(C)Cc1cc(CN)ccc1OC.
What is the InChIKey of N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-1-methoxy-N-methylpropan-2-amine?
The InChIKey is VIAGJGFIYJTWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-11(10-17-3)16(2)9-13-7-12(8-15)5-6-14(13)18-4/h5-7,11H,8-10,15H2,1-4H3.
What are the key properties of N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-1-methoxy-N-methylpropan-2-amine?
N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-1-methoxy-N-methylpropan-2-amine has a molecular weight of 252.36 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-1-methoxy-N-methylpropan-2-amine is sourced from PubChem (CID 62019115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).