[2-methoxy-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]phenyl]methanamine

C18H24N2O — CID 65341080

IUPAC[2-methoxy-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]phenyl]methanamine
SMILESCOc1ccc(CN(C)Cc2ccc(C)cc2)cc1CN
InChIInChI=1S/C18H24N2O/c1-14-4-6-15(7-5-14)12-20(2)13-16-8-9-18(21-3)17(10-16)11-19/h4-10H,11-13,19H2,1-3H3
InChIKeyMRJJENKKZXQLHW-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.09
Rot. Bonds6

About [2-methoxy-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]phenyl]methanamine

[2-methoxy-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]phenyl]methanamine (PubChem CID 65341080) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is [2-methoxy-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-methoxy-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]phenyl]methanamine
PubChem CID65341080
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name[2-methoxy-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]phenyl]methanamine
SMILESCOc1ccc(CN(C)Cc2ccc(C)cc2)cc1CN
InChIInChI=1S/C18H24N2O/c1-14-4-6-15(7-5-14)12-20(2)13-16-8-9-18(21-3)17(10-16)11-19/h4-10H,11-13,19H2,1-3H3
InChIKeyMRJJENKKZXQLHW-UHFFFAOYSA-N
XLogP3.09
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-[[benzyl(methyl)amino]methyl]-2-methoxyphenyl]methanamine
CID 65340886
[4-methoxy-3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]phenyl]methanamine
CID 62018363
N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-methylpentan-1-amine
CID 65340742
N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N,4-dimethylaniline
CID 62018742
N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-1-cyclopentyl-N-methylmethanamine
CID 65338383
N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-methyl-2-propan-2-yloxyethanamine
CID 81058780
N'-[(3-ethyl-4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 95445406
[4-methoxy-3-[[methyl-[(2-methylphenyl)methyl]amino]methyl]phenyl]methanamine
CID 62018364
[2-methoxy-5-[(4-methylphenyl)sulfonylmethyl]phenyl]methanamine
CID 65343771
N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine
CID 65338284
[3-[(dimethylamino)methyl]-4-methoxyphenyl]methanamine;hydrochloride
CID 156589399
2-[[3-(aminomethyl)-4-methoxyphenyl]methyl-methylamino]-N-propan-2-ylacetamide
CID 65338614

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]phenyl]methanamine?
The IUPAC name of [2-methoxy-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]phenyl]methanamine (CID 65341080) is [2-methoxy-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]phenyl]methanamine.
What is the SMILES notation for [2-methoxy-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]phenyl]methanamine?
The canonical SMILES for [2-methoxy-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]phenyl]methanamine is COc1ccc(CN(C)Cc2ccc(C)cc2)cc1CN.
What is the InChIKey of [2-methoxy-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]phenyl]methanamine?
The InChIKey is MRJJENKKZXQLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-14-4-6-15(7-5-14)12-20(2)13-16-8-9-18(21-3)17(10-16)11-19/h4-10H,11-13,19H2,1-3H3.
What are the key properties of [2-methoxy-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]phenyl]methanamine?
[2-methoxy-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]phenyl]methanamine has a molecular weight of 284.40 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]phenyl]methanamine is sourced from PubChem (CID 65341080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).