N-[[3-(aminomethyl)phenyl]methyl]-2-(2,5-dimethylphenyl)ethanamine

C18H24N2 — CID 115213050

IUPACN-[[3-(aminomethyl)phenyl]methyl]-2-(2,5-dimethylphenyl)ethanamine
SMILESCc1ccc(C)c(CCNCc2cccc(CN)c2)c1
InChIInChI=1S/C18H24N2/c1-14-6-7-15(2)18(10-14)8-9-20-13-17-5-3-4-16(11-17)12-19/h3-7,10-11,20H,8-9,12-13,19H2,1-2H3
InChIKeyWXYLLYJBLWXHDW-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.09
Rot. Bonds6

About N-[[3-(aminomethyl)phenyl]methyl]-2-(2,5-dimethylphenyl)ethanamine

N-[[3-(aminomethyl)phenyl]methyl]-2-(2,5-dimethylphenyl)ethanamine (PubChem CID 115213050) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-[[3-(aminomethyl)phenyl]methyl]-2-(2,5-dimethylphenyl)ethanamine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)phenyl]methyl]-2-(2,5-dimethylphenyl)ethanamine
PubChem CID115213050
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC NameN-[[3-(aminomethyl)phenyl]methyl]-2-(2,5-dimethylphenyl)ethanamine
SMILESCc1ccc(C)c(CCNCc2cccc(CN)c2)c1
InChIInChI=1S/C18H24N2/c1-14-6-7-15(2)18(10-14)8-9-20-13-17-5-3-4-16(11-17)12-19/h3-7,10-11,20H,8-9,12-13,19H2,1-2H3
InChIKeyWXYLLYJBLWXHDW-UHFFFAOYSA-N
XLogP3.09
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[3-[[(3,4-dimethylphenyl)methylamino]methyl]phenyl]methanamine
CID 115212989
2-(3-methylphenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 55062468
N-[[3-(aminomethyl)phenyl]methyl]-2-pyridin-4-ylethanamine
CID 115213067
N-[[4-(aminomethyl)phenyl]methyl]-2-(4-methylphenyl)ethanamine
CID 115213247
2-(2,5-dimethylphenyl)-N-ethylethanamine
CID 62537525
N-[(3-chlorophenyl)methyl]-2-(2-methylphenyl)ethanamine
CID 78910558
2-(2,5-dimethylphenyl)-N-(thiophen-2-ylmethyl)ethanamine
CID 62538017
3-[[2-(2-methylphenyl)ethylamino]methyl]phenol
CID 78910580
N'-[2-[2-[(3-methylphenyl)methylamino]ethylamino]ethyl]ethane-1,2-diamine
CID 69241095
1-N-[2-(2,5-dimethylphenyl)ethyl]-2-methylpropane-1,2-diamine
CID 115136100
N-[[3-(aminomethyl)phenyl]methyl]but-3-en-1-amine
CID 145380896
N-(cyclopropylmethyl)-2-(2,5-dimethylphenyl)ethanamine
CID 62538182

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-2-(2,5-dimethylphenyl)ethanamine?
The IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-2-(2,5-dimethylphenyl)ethanamine (CID 115213050) is N-[[3-(aminomethyl)phenyl]methyl]-2-(2,5-dimethylphenyl)ethanamine.
What is the SMILES notation for N-[[3-(aminomethyl)phenyl]methyl]-2-(2,5-dimethylphenyl)ethanamine?
The canonical SMILES for N-[[3-(aminomethyl)phenyl]methyl]-2-(2,5-dimethylphenyl)ethanamine is Cc1ccc(C)c(CCNCc2cccc(CN)c2)c1.
What is the InChIKey of N-[[3-(aminomethyl)phenyl]methyl]-2-(2,5-dimethylphenyl)ethanamine?
The InChIKey is WXYLLYJBLWXHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-14-6-7-15(2)18(10-14)8-9-20-13-17-5-3-4-16(11-17)12-19/h3-7,10-11,20H,8-9,12-13,19H2,1-2H3.
What are the key properties of N-[[3-(aminomethyl)phenyl]methyl]-2-(2,5-dimethylphenyl)ethanamine?
N-[[3-(aminomethyl)phenyl]methyl]-2-(2,5-dimethylphenyl)ethanamine has a molecular weight of 268.40 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)phenyl]methyl]-2-(2,5-dimethylphenyl)ethanamine is sourced from PubChem (CID 115213050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).