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

C17H22N2 — CID 115213247

IUPACN-[[4-(aminomethyl)phenyl]methyl]-2-(4-methylphenyl)ethanamine
SMILESCc1ccc(CCNCc2ccc(CN)cc2)cc1
InChIInChI=1S/C17H22N2/c1-14-2-4-15(5-3-14)10-11-19-13-17-8-6-16(12-18)7-9-17/h2-9,19H,10-13,18H2,1H3
InChIKeyDXTLYUUVEGYCOH-UHFFFAOYSA-N
MW254.38 g/mol
LogP2.79
Rot. Bonds6

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

N-[[4-(aminomethyl)phenyl]methyl]-2-(4-methylphenyl)ethanamine (PubChem CID 115213247) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is N-[[4-(aminomethyl)phenyl]methyl]-2-(4-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)phenyl]methyl]-2-(4-methylphenyl)ethanamine
PubChem CID115213247
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC NameN-[[4-(aminomethyl)phenyl]methyl]-2-(4-methylphenyl)ethanamine
SMILESCc1ccc(CCNCc2ccc(CN)cc2)cc1
InChIInChI=1S/C17H22N2/c1-14-2-4-15(5-3-14)10-11-19-13-17-8-6-16(12-18)7-9-17/h2-9,19H,10-13,18H2,1H3
InChIKeyDXTLYUUVEGYCOH-UHFFFAOYSA-N
XLogP2.79
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 52.79
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

2-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]ethanamine;hydrochloride
CID 17206419
N-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)ethanamine
CID 16753278
2-(3,4-dimethylphenyl)-N-[(4-methylphenyl)methyl]ethanamine
CID 144851881
N-[(4-methylphenyl)methyl]-2-phenylethanamine;oxalic acid
CID 17053119
N-methylmethanamine;(4-methylphenyl)methanamine
CID 163390626
2-[(4-methylphenyl)methylamino]ethanethiol
CID 14306202
N-[[3-(aminomethyl)phenyl]methyl]-2-(2,5-dimethylphenyl)ethanamine
CID 115213050
1-(4-methylphenyl)-N-[[4-(4-methylphenyl)phenyl]methyl]methanamine
CID 171059943
N-[(4-methylphenyl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine
CID 104626931
2-methyl-N-[2-(4-methylphenyl)ethyl]propan-1-amine
CID 60983758
N-[(4-methylphenyl)methyl]ethanamine
CID 4716476
N-[[3-(aminomethyl)phenyl]methyl]-2-pyridin-4-ylethanamine
CID 115213067

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-2-(4-methylphenyl)ethanamine?
The IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-2-(4-methylphenyl)ethanamine (CID 115213247) is N-[[4-(aminomethyl)phenyl]methyl]-2-(4-methylphenyl)ethanamine.
What is the SMILES notation for N-[[4-(aminomethyl)phenyl]methyl]-2-(4-methylphenyl)ethanamine?
The canonical SMILES for N-[[4-(aminomethyl)phenyl]methyl]-2-(4-methylphenyl)ethanamine is Cc1ccc(CCNCc2ccc(CN)cc2)cc1.
What is the InChIKey of N-[[4-(aminomethyl)phenyl]methyl]-2-(4-methylphenyl)ethanamine?
The InChIKey is DXTLYUUVEGYCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-14-2-4-15(5-3-14)10-11-19-13-17-8-6-16(12-18)7-9-17/h2-9,19H,10-13,18H2,1H3.
What are the key properties of N-[[4-(aminomethyl)phenyl]methyl]-2-(4-methylphenyl)ethanamine?
N-[[4-(aminomethyl)phenyl]methyl]-2-(4-methylphenyl)ethanamine has a molecular weight of 254.38 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)phenyl]methyl]-2-(4-methylphenyl)ethanamine is sourced from PubChem (CID 115213247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).