N-[(4-fluorophenyl)methyl]-N,N',2-trimethylpropane-1,3-diamine

C13H21FN2 — CID 62412873

IUPACN-[(4-fluorophenyl)methyl]-N,N',2-trimethylpropane-1,3-diamine
SMILESCNCC(C)CN(C)Cc1ccc(F)cc1
InChIInChI=1S/C13H21FN2/c1-11(8-15-2)9-16(3)10-12-4-6-13(14)7-5-12/h4-7,11,15H,8-10H2,1-3H3
InChIKeyQWNCTMNOBLDPDX-UHFFFAOYSA-N
MW224.32 g/mol
LogP2.11
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-N,N',2-trimethylpropane-1,3-diamine

N-[(4-fluorophenyl)methyl]-N,N',2-trimethylpropane-1,3-diamine (PubChem CID 62412873) has the molecular formula C13H21FN2 and a molecular weight of 224.32 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N,N',2-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N,N',2-trimethylpropane-1,3-diamine
PubChem CID62412873
Molecular FormulaC13H21FN2
Molecular Weight224.32 g/mol
Exact Mass224.17
IUPAC NameN-[(4-fluorophenyl)methyl]-N,N',2-trimethylpropane-1,3-diamine
SMILESCNCC(C)CN(C)Cc1ccc(F)cc1
InChIInChI=1S/C13H21FN2/c1-11(8-15-2)9-16(3)10-12-4-6-13(14)7-5-12/h4-7,11,15H,8-10H2,1-3H3
InChIKeyQWNCTMNOBLDPDX-UHFFFAOYSA-N
XLogP2.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorophenyl)methyl]-N,N',2-trimethylpropane-1,3-diamine
CID 62411299
N-[(2,6-dimethylphenyl)methyl]-N,N',2-trimethylpropane-1,3-diamine
CID 106915935
1-(4-fluorophenyl)-N'-[(4-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 107519967
N,N',2-trimethyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine
CID 62427011
N'-[(4-fluorophenyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62413226
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N,N',2-trimethylpropane-1,3-diamine
CID 106915990
N-[(4-methoxyphenyl)methyl]-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62435384
6-(4-fluorophenyl)-2-N-[(4-fluorophenyl)methyl]-1-N,2-N-dimethylhexane-1,2-diamine
CID 67734751
N'-[(4-fluorophenyl)methyl]-N,N'-dimethylbutane-1,4-diamine
CID 61413181
1-chloro-3-[(4-fluorophenyl)methyl-methylamino]propan-2-ol
CID 112561328
N-benzyl-N,2-dimethyl-N'-propylpropane-1,3-diamine
CID 62424928
N,N',2-trimethyl-N'-[(3-methyl-2-pyridinyl)methyl]propane-1,3-diamine
CID 106915863

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N,N',2-trimethylpropane-1,3-diamine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N,N',2-trimethylpropane-1,3-diamine (CID 62412873) is N-[(4-fluorophenyl)methyl]-N,N',2-trimethylpropane-1,3-diamine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N,N',2-trimethylpropane-1,3-diamine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N,N',2-trimethylpropane-1,3-diamine is CNCC(C)CN(C)Cc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N,N',2-trimethylpropane-1,3-diamine?
The InChIKey is QWNCTMNOBLDPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2/c1-11(8-15-2)9-16(3)10-12-4-6-13(14)7-5-12/h4-7,11,15H,8-10H2,1-3H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N,N',2-trimethylpropane-1,3-diamine?
N-[(4-fluorophenyl)methyl]-N,N',2-trimethylpropane-1,3-diamine has a molecular weight of 224.32 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N,N',2-trimethylpropane-1,3-diamine is sourced from PubChem (CID 62412873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).