N'-ethyl-1-(2-fluorophenyl)-N,N',2-trimethylpropane-1,3-diamine

C14H23FN2 — CID 112679820

IUPACN'-ethyl-1-(2-fluorophenyl)-N,N',2-trimethylpropane-1,3-diamine
SMILESCCN(C)CC(C)C(NC)c1ccccc1F
InChIInChI=1S/C14H23FN2/c1-5-17(4)10-11(2)14(16-3)12-8-6-7-9-13(12)15/h6-9,11,14,16H,5,10H2,1-4H3
InChIKeyXOKCXKKCJGEKIN-UHFFFAOYSA-N
MW238.35 g/mol
LogP2.67
Rot. Bonds6

About N'-ethyl-1-(2-fluorophenyl)-N,N',2-trimethylpropane-1,3-diamine

N'-ethyl-1-(2-fluorophenyl)-N,N',2-trimethylpropane-1,3-diamine (PubChem CID 112679820) has the molecular formula C14H23FN2 and a molecular weight of 238.35 g/mol. Its IUPAC name is N'-ethyl-1-(2-fluorophenyl)-N,N',2-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-1-(2-fluorophenyl)-N,N',2-trimethylpropane-1,3-diamine
PubChem CID112679820
Molecular FormulaC14H23FN2
Molecular Weight238.35 g/mol
Exact Mass238.18
IUPAC NameN'-ethyl-1-(2-fluorophenyl)-N,N',2-trimethylpropane-1,3-diamine
SMILESCCN(C)CC(C)C(NC)c1ccccc1F
InChIInChI=1S/C14H23FN2/c1-5-17(4)10-11(2)14(16-3)12-8-6-7-9-13(12)15/h6-9,11,14,16H,5,10H2,1-4H3
InChIKeyXOKCXKKCJGEKIN-UHFFFAOYSA-N
XLogP2.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-N,N',2-trimethyl-N'-(3,3,3-trifluoropropyl)propane-1,3-diamine
CID 115996979
N'-butan-2-yl-N'-ethyl-1-(2-fluorophenyl)-N,2-dimethylpropane-1,3-diamine
CID 115996733
1-(2-fluorophenyl)-N,N',2-trimethyl-N'-(2-methylsulfonylethyl)propane-1,3-diamine
CID 115997000
1-(2-fluorophenyl)-N'-(3-methoxypropyl)-N,N',2-trimethylpropane-1,3-diamine
CID 115996926
N'-ethyl-1-(2-fluorophenyl)-N,2-dimethyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 115996806
1-(2-fluorophenyl)-N,N',2-trimethyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine
CID 115996809
N'-ethyl-N,N',2-trimethyl-1-phenylpropane-1,3-diamine
CID 62619239
N'-cyclopentyl-N'-ethyl-1-(2-fluorophenyl)-N,2-dimethylpropane-1,3-diamine
CID 115996757
1-(2-fluorophenyl)-N,2-dimethylbutane-1,4-diamine
CID 116949640
N-ethyl-1-(2-fluorophenyl)-N',2-dimethyl-N'-pentylpropane-1,3-diamine
CID 115996740
N'-cyclopropyl-1-(2-fluorophenyl)-N,2-dimethyl-N'-propylpropane-1,3-diamine
CID 115996737
N'-cyclopropyl-1-(2-fluorophenyl)-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 115996833

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-1-(2-fluorophenyl)-N,N',2-trimethylpropane-1,3-diamine?
The IUPAC name of N'-ethyl-1-(2-fluorophenyl)-N,N',2-trimethylpropane-1,3-diamine (CID 112679820) is N'-ethyl-1-(2-fluorophenyl)-N,N',2-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-ethyl-1-(2-fluorophenyl)-N,N',2-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-ethyl-1-(2-fluorophenyl)-N,N',2-trimethylpropane-1,3-diamine is CCN(C)CC(C)C(NC)c1ccccc1F.
What is the InChIKey of N'-ethyl-1-(2-fluorophenyl)-N,N',2-trimethylpropane-1,3-diamine?
The InChIKey is XOKCXKKCJGEKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2/c1-5-17(4)10-11(2)14(16-3)12-8-6-7-9-13(12)15/h6-9,11,14,16H,5,10H2,1-4H3.
What are the key properties of N'-ethyl-1-(2-fluorophenyl)-N,N',2-trimethylpropane-1,3-diamine?
N'-ethyl-1-(2-fluorophenyl)-N,N',2-trimethylpropane-1,3-diamine has a molecular weight of 238.35 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-1-(2-fluorophenyl)-N,N',2-trimethylpropane-1,3-diamine is sourced from PubChem (CID 112679820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).