[4-methoxy-3-[[methyl-[(2-methylphenyl)methyl]amino]methyl]phenyl]methanamine

C18H24N2O — CID 62018364

IUPAC[4-methoxy-3-[[methyl-[(2-methylphenyl)methyl]amino]methyl]phenyl]methanamine
SMILESCOc1ccc(CN)cc1CN(C)Cc1ccccc1C
InChIInChI=1S/C18H24N2O/c1-14-6-4-5-7-16(14)12-20(2)13-17-10-15(11-19)8-9-18(17)21-3/h4-10H,11-13,19H2,1-3H3
InChIKeyMDCKZDRCNHJUFI-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.09
Rot. Bonds6

About [4-methoxy-3-[[methyl-[(2-methylphenyl)methyl]amino]methyl]phenyl]methanamine

[4-methoxy-3-[[methyl-[(2-methylphenyl)methyl]amino]methyl]phenyl]methanamine (PubChem CID 62018364) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is [4-methoxy-3-[[methyl-[(2-methylphenyl)methyl]amino]methyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-methoxy-3-[[methyl-[(2-methylphenyl)methyl]amino]methyl]phenyl]methanamine
PubChem CID62018364
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name[4-methoxy-3-[[methyl-[(2-methylphenyl)methyl]amino]methyl]phenyl]methanamine
SMILESCOc1ccc(CN)cc1CN(C)Cc1ccccc1C
InChIInChI=1S/C18H24N2O/c1-14-6-4-5-7-16(14)12-20(2)13-17-10-15(11-19)8-9-18(17)21-3/h4-10H,11-13,19H2,1-3H3
InChIKeyMDCKZDRCNHJUFI-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

[4-methoxy-3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]phenyl]methanamine
CID 62018363
[3-[(dimethylamino)methyl]-4-methoxyphenyl]methanamine;hydrochloride
CID 156589399
[5-[[benzyl(methyl)amino]methyl]-2-methoxyphenyl]methanamine
CID 65340886
N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-2-methoxy-N-methylaniline
CID 62018180
[2-methoxy-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]phenyl]methanamine
CID 65341080
N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N,3,5-trimethylaniline
CID 62018373
N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N,4-dimethylaniline
CID 62018742
[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-3-methylphenyl]methanamine
CID 114478646
[2-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 60921813
N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-1-cyclohexyl-N-methylmethanamine
CID 62018368
[4-fluoro-2-[[(2-methoxyphenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 64770076
[3-[[benzyl(methyl)amino]methyl]-4-methoxyphenyl]methanol
CID 62019327

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-3-[[methyl-[(2-methylphenyl)methyl]amino]methyl]phenyl]methanamine?
The IUPAC name of [4-methoxy-3-[[methyl-[(2-methylphenyl)methyl]amino]methyl]phenyl]methanamine (CID 62018364) is [4-methoxy-3-[[methyl-[(2-methylphenyl)methyl]amino]methyl]phenyl]methanamine.
What is the SMILES notation for [4-methoxy-3-[[methyl-[(2-methylphenyl)methyl]amino]methyl]phenyl]methanamine?
The canonical SMILES for [4-methoxy-3-[[methyl-[(2-methylphenyl)methyl]amino]methyl]phenyl]methanamine is COc1ccc(CN)cc1CN(C)Cc1ccccc1C.
What is the InChIKey of [4-methoxy-3-[[methyl-[(2-methylphenyl)methyl]amino]methyl]phenyl]methanamine?
The InChIKey is MDCKZDRCNHJUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-14-6-4-5-7-16(14)12-20(2)13-17-10-15(11-19)8-9-18(17)21-3/h4-10H,11-13,19H2,1-3H3.
What are the key properties of [4-methoxy-3-[[methyl-[(2-methylphenyl)methyl]amino]methyl]phenyl]methanamine?
[4-methoxy-3-[[methyl-[(2-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 [4-methoxy-3-[[methyl-[(2-methylphenyl)methyl]amino]methyl]phenyl]methanamine is sourced from PubChem (CID 62018364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).