N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-[(2-methylphenyl)methyl]ethanamine

C18H23FN2 — CID 43588378

IUPACN-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-[(2-methylphenyl)methyl]ethanamine
SMILESCCN(Cc1ccccc1C)Cc1cc(CN)ccc1F
InChIInChI=1S/C18H23FN2/c1-3-21(12-16-7-5-4-6-14(16)2)13-17-10-15(11-20)8-9-18(17)19/h4-10H,3,11-13,20H2,1-2H3
InChIKeyWMHFKZKBKCZDDJ-UHFFFAOYSA-N
MW286.39 g/mol
LogP3.61
Rot. Bonds6

About N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-[(2-methylphenyl)methyl]ethanamine

N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-[(2-methylphenyl)methyl]ethanamine (PubChem CID 43588378) has the molecular formula C18H23FN2 and a molecular weight of 286.39 g/mol. Its IUPAC name is N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-[(2-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-[(2-methylphenyl)methyl]ethanamine
PubChem CID43588378
Molecular FormulaC18H23FN2
Molecular Weight286.39 g/mol
Exact Mass286.18
IUPAC NameN-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-[(2-methylphenyl)methyl]ethanamine
SMILESCCN(Cc1ccccc1C)Cc1cc(CN)ccc1F
InChIInChI=1S/C18H23FN2/c1-3-21(12-16-7-5-4-6-14(16)2)13-17-10-15(11-20)8-9-18(17)19/h4-10H,3,11-13,20H2,1-2H3
InChIKeyWMHFKZKBKCZDDJ-UHFFFAOYSA-N
XLogP3.61
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-ethylprop-2-yn-1-amine
CID 107455452
4-[[ethyl-[(2-methylphenyl)methyl]amino]methyl]aniline
CID 43458817
2-bromo-5-[[ethyl-[(2-methylphenyl)methyl]amino]methyl]aniline
CID 115557039
N'-ethyl-N'-[(2-methylphenyl)methyl]pentane-1,5-diamine
CID 54965709
4-(aminomethyl)-2-bromo-N-ethyl-N-[(2-methylphenyl)methyl]aniline
CID 82793403
[4-fluoro-3-[(2-fluorophenyl)methoxymethyl]phenyl]methanamine
CID 63934665
N-[[2-(aminomethyl)phenyl]methyl]-N-[(3,5-difluorophenyl)methyl]ethanamine
CID 105402834
[3-[(2-ethylphenoxy)methyl]-4-fluorophenyl]methanamine
CID 43364228
[4-fluoro-3-[(2-fluoro-3-methylphenoxy)methyl]phenyl]methanamine
CID 107656549
[4-methoxy-3-[[methyl-[(2-methylphenyl)methyl]amino]methyl]phenyl]methanamine
CID 62018364
[3-(aminomethyl)-4-fluorophenyl]methanamine
CID 62072221
[2-fluoro-5-[(2-methylphenyl)methylsulfinylmethyl]phenyl]methanamine
CID 107881573

Frequently Asked Questions

What is the IUPAC name of N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-[(2-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-[(2-methylphenyl)methyl]ethanamine (CID 43588378) is N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-[(2-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-[(2-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-[(2-methylphenyl)methyl]ethanamine is CCN(Cc1ccccc1C)Cc1cc(CN)ccc1F.
What is the InChIKey of N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-[(2-methylphenyl)methyl]ethanamine?
The InChIKey is WMHFKZKBKCZDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2/c1-3-21(12-16-7-5-4-6-14(16)2)13-17-10-15(11-20)8-9-18(17)19/h4-10H,3,11-13,20H2,1-2H3.
What are the key properties of N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-[(2-methylphenyl)methyl]ethanamine?
N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-[(2-methylphenyl)methyl]ethanamine has a molecular weight of 286.39 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-[(2-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 43588378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).