N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-2-(3-methylphenyl)ethanamine

C18H24N2 — CID 115213284

IUPACN-[[4-(aminomethyl)phenyl]methyl]-N-methyl-2-(3-methylphenyl)ethanamine
SMILESCc1cccc(CCN(C)Cc2ccc(CN)cc2)c1
InChIInChI=1S/C18H24N2/c1-15-4-3-5-16(12-15)10-11-20(2)14-18-8-6-17(13-19)7-9-18/h3-9,12H,10-11,13-14,19H2,1-2H3
InChIKeyVQYIXEWTVBTYQY-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.13
Rot. Bonds6

About N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-2-(3-methylphenyl)ethanamine

N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-2-(3-methylphenyl)ethanamine (PubChem CID 115213284) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-2-(3-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)phenyl]methyl]-N-methyl-2-(3-methylphenyl)ethanamine
PubChem CID115213284
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC NameN-[[4-(aminomethyl)phenyl]methyl]-N-methyl-2-(3-methylphenyl)ethanamine
SMILESCc1cccc(CCN(C)Cc2ccc(CN)cc2)c1
InChIInChI=1S/C18H24N2/c1-15-4-3-5-16(12-15)10-11-20(2)14-18-8-6-17(13-19)7-9-18/h3-9,12H,10-11,13-14,19H2,1-2H3
InChIKeyVQYIXEWTVBTYQY-UHFFFAOYSA-N
XLogP3.13
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[methyl-[2-(3-methylphenyl)ethyl]amino]methanol
CID 115229547
ethyl 2-[methyl-[2-(3-methylphenyl)ethyl]amino]acetate
CID 115257572
N'-methyl-N'-[(3-methylphenyl)methyl]hexane-1,6-diamine
CID 61411443
(3-methylphenyl)methanamine;hydrochloride
CID 18670917
N-methyl-N-[2-(3-methylphenyl)ethyl]thiohydroxylamine
CID 129060272
[3-fluoro-4-[[methyl-[(3-methylphenyl)methyl]amino]methyl]phenyl]methanamine
CID 61414070
N-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-N-methylethanamine
CID 80698741
N-[[4-(aminomethyl)phenyl]methyl]-N-methylpropan-1-amine
CID 43270951
methyl 3-[methyl-[2-(3-methylphenyl)ethyl]amino]propanoate
CID 115232585
N-[2-[methyl-[2-(3-methylphenyl)ethyl]amino]ethyl]formamide
CID 142389999
2-[4-[[methyl-[(3-methylphenyl)methyl]amino]methyl]phenyl]propan-1-amine
CID 105346309
[4-methoxy-3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]phenyl]methanamine
CID 62018363

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-2-(3-methylphenyl)ethanamine?
The IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-2-(3-methylphenyl)ethanamine (CID 115213284) is N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-2-(3-methylphenyl)ethanamine.
What is the SMILES notation for N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-2-(3-methylphenyl)ethanamine?
The canonical SMILES for N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-2-(3-methylphenyl)ethanamine is Cc1cccc(CCN(C)Cc2ccc(CN)cc2)c1.
What is the InChIKey of N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-2-(3-methylphenyl)ethanamine?
The InChIKey is VQYIXEWTVBTYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-15-4-3-5-16(12-15)10-11-20(2)14-18-8-6-17(13-19)7-9-18/h3-9,12H,10-11,13-14,19H2,1-2H3.
What are the key properties of N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-2-(3-methylphenyl)ethanamine?
N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-2-(3-methylphenyl)ethanamine has a molecular weight of 268.40 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-2-(3-methylphenyl)ethanamine is sourced from PubChem (CID 115213284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).