N'-[[2-(aminomethyl)-4-fluorophenyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine

C15H26FN3 — CID 63289416

IUPACN'-[[2-(aminomethyl)-4-fluorophenyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
SMILESCCCN(CCN(C)C)Cc1ccc(F)cc1CN
InChIInChI=1S/C15H26FN3/c1-4-7-19(9-8-18(2)3)12-13-5-6-15(16)10-14(13)11-17/h5-6,10H,4,7-9,11-12,17H2,1-3H3
InChIKeyASXWONAGSYXEIN-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.06
Rot. Bonds8

About N'-[[2-(aminomethyl)-4-fluorophenyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine

N'-[[2-(aminomethyl)-4-fluorophenyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine (PubChem CID 63289416) has the molecular formula C15H26FN3 and a molecular weight of 267.39 g/mol. Its IUPAC name is N'-[[2-(aminomethyl)-4-fluorophenyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[2-(aminomethyl)-4-fluorophenyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
PubChem CID63289416
Molecular FormulaC15H26FN3
Molecular Weight267.39 g/mol
Exact Mass267.21
IUPAC NameN'-[[2-(aminomethyl)-4-fluorophenyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
SMILESCCCN(CCN(C)C)Cc1ccc(F)cc1CN
InChIInChI=1S/C15H26FN3/c1-4-7-19(9-8-18(2)3)12-13-5-6-15(16)10-14(13)11-17/h5-6,10H,4,7-9,11-12,17H2,1-3H3
InChIKeyASXWONAGSYXEIN-UHFFFAOYSA-N
XLogP2.06
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-4-fluoro-N-methyl-N-propylaniline
CID 43313967
2-[[2-(aminomethyl)-4-fluorophenyl]methyl-(2-amino-2-oxoethyl)amino]acetamide
CID 63289211
[2-(aminomethyl)-4-fluorophenyl]methanamine
CID 44784876
2-[(5-fluoro-2-methylphenyl)methyl-propylamino]ethanol
CID 115970191
N'-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 62436717
ethyl 3-[[2-(aminomethyl)-4-fluorophenyl]methyl-methylamino]propanoate
CID 63380921
2-[(2-chloro-5-fluorophenyl)methyl-propylamino]ethanol
CID 102609322
2-(aminomethyl)-N-ethyl-4-fluoro-N-propylaniline
CID 43313949
4-fluoro-2-[[2-hydroxyethyl(propyl)amino]methyl]benzenecarbothioamide
CID 64765415
2-[4-[[2-(aminomethyl)-4-fluorophenyl]methyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 63289209
[4-fluoro-2-[[(4-fluorophenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 64769510
2-[(2-bromo-4-fluorophenyl)methyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107425936

Frequently Asked Questions

What is the IUPAC name of N'-[[2-(aminomethyl)-4-fluorophenyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
The IUPAC name of N'-[[2-(aminomethyl)-4-fluorophenyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine (CID 63289416) is N'-[[2-(aminomethyl)-4-fluorophenyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine.
What is the SMILES notation for N'-[[2-(aminomethyl)-4-fluorophenyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
The canonical SMILES for N'-[[2-(aminomethyl)-4-fluorophenyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine is CCCN(CCN(C)C)Cc1ccc(F)cc1CN.
What is the InChIKey of N'-[[2-(aminomethyl)-4-fluorophenyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
The InChIKey is ASXWONAGSYXEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26FN3/c1-4-7-19(9-8-18(2)3)12-13-5-6-15(16)10-14(13)11-17/h5-6,10H,4,7-9,11-12,17H2,1-3H3.
What are the key properties of N'-[[2-(aminomethyl)-4-fluorophenyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
N'-[[2-(aminomethyl)-4-fluorophenyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine has a molecular weight of 267.39 g/mol, XLogP of 2.06, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[2-(aminomethyl)-4-fluorophenyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine is sourced from PubChem (CID 63289416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).