[3-[(dimethylamino)methyl]-4-methoxyphenyl]methanamine;hydrochloride

C11H19ClN2O — CID 156589399

IUPAC[3-[(dimethylamino)methyl]-4-methoxyphenyl]methanamine;hydrochloride
SMILESCOc1ccc(CN)cc1CN(C)C.Cl
InChIInChI=1S/C11H18N2O.ClH/c1-13(2)8-10-6-9(7-12)4-5-11(10)14-3;/h4-6H,7-8,12H2,1-3H3;1H
InChIKeyFMCJGGATJGYAAP-UHFFFAOYSA-N
MW230.74 g/mol
LogP1.64
Rot. Bonds4

About [3-[(dimethylamino)methyl]-4-methoxyphenyl]methanamine;hydrochloride

[3-[(dimethylamino)methyl]-4-methoxyphenyl]methanamine;hydrochloride (PubChem CID 156589399) has the molecular formula C11H19ClN2O and a molecular weight of 230.74 g/mol. Its IUPAC name is [3-[(dimethylamino)methyl]-4-methoxyphenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[3-[(dimethylamino)methyl]-4-methoxyphenyl]methanamine;hydrochloride
PubChem CID156589399
Molecular FormulaC11H19ClN2O
Molecular Weight230.74 g/mol
Exact Mass230.12
IUPAC Name[3-[(dimethylamino)methyl]-4-methoxyphenyl]methanamine;hydrochloride
SMILESCOc1ccc(CN)cc1CN(C)C.Cl
InChIInChI=1S/C11H18N2O.ClH/c1-13(2)8-10-6-9(7-12)4-5-11(10)14-3;/h4-6H,7-8,12H2,1-3H3;1H
InChIKeyFMCJGGATJGYAAP-UHFFFAOYSA-N
XLogP1.64
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.74
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-1-cyclohexyl-N-methylmethanamine
CID 62018368
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
N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N-methyl-1-(oxan-4-yl)methanamine
CID 63726480
[4-methoxy-3-[[methyl-[(2-methylphenyl)methyl]amino]methyl]phenyl]methanamine
CID 62018364
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
[4-methoxy-3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]phenyl]methanamine
CID 62018363
N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-1-cyclopentyl-N-methylmethanamine
CID 65338383
N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N-(cyclopropylmethyl)propan-1-amine
CID 62017800
[2-methoxy-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]phenyl]methanamine
CID 65341080

Frequently Asked Questions

What is the IUPAC name of [3-[(dimethylamino)methyl]-4-methoxyphenyl]methanamine;hydrochloride?
The IUPAC name of [3-[(dimethylamino)methyl]-4-methoxyphenyl]methanamine;hydrochloride (CID 156589399) is [3-[(dimethylamino)methyl]-4-methoxyphenyl]methanamine;hydrochloride.
What is the SMILES notation for [3-[(dimethylamino)methyl]-4-methoxyphenyl]methanamine;hydrochloride?
The canonical SMILES for [3-[(dimethylamino)methyl]-4-methoxyphenyl]methanamine;hydrochloride is COc1ccc(CN)cc1CN(C)C.Cl.
What is the InChIKey of [3-[(dimethylamino)methyl]-4-methoxyphenyl]methanamine;hydrochloride?
The InChIKey is FMCJGGATJGYAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O.ClH/c1-13(2)8-10-6-9(7-12)4-5-11(10)14-3;/h4-6H,7-8,12H2,1-3H3;1H.
What are the key properties of [3-[(dimethylamino)methyl]-4-methoxyphenyl]methanamine;hydrochloride?
[3-[(dimethylamino)methyl]-4-methoxyphenyl]methanamine;hydrochloride has a molecular weight of 230.74 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(dimethylamino)methyl]-4-methoxyphenyl]methanamine;hydrochloride is sourced from PubChem (CID 156589399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).