N,N',N'-triethyl-1-(2-fluorophenyl)-2-methylpropane-1,3-diamine

C16H27FN2 — CID 112679791

IUPACN,N',N'-triethyl-1-(2-fluorophenyl)-2-methylpropane-1,3-diamine
SMILESCCNC(c1ccccc1F)C(C)CN(CC)CC
InChIInChI=1S/C16H27FN2/c1-5-18-16(13(4)12-19(6-2)7-3)14-10-8-9-11-15(14)17/h8-11,13,16,18H,5-7,12H2,1-4H3
InChIKeyYDDNSKHHXFVLGC-UHFFFAOYSA-N
MW266.40 g/mol
LogP3.45
Rot. Bonds8

About N,N',N'-triethyl-1-(2-fluorophenyl)-2-methylpropane-1,3-diamine

N,N',N'-triethyl-1-(2-fluorophenyl)-2-methylpropane-1,3-diamine (PubChem CID 112679791) has the molecular formula C16H27FN2 and a molecular weight of 266.40 g/mol. Its IUPAC name is N,N',N'-triethyl-1-(2-fluorophenyl)-2-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN,N',N'-triethyl-1-(2-fluorophenyl)-2-methylpropane-1,3-diamine
PubChem CID112679791
Molecular FormulaC16H27FN2
Molecular Weight266.40 g/mol
Exact Mass266.22
IUPAC NameN,N',N'-triethyl-1-(2-fluorophenyl)-2-methylpropane-1,3-diamine
SMILESCCNC(c1ccccc1F)C(C)CN(CC)CC
InChIInChI=1S/C16H27FN2/c1-5-18-16(13(4)12-19(6-2)7-3)14-10-8-9-11-15(14)17/h8-11,13,16,18H,5-7,12H2,1-4H3
InChIKeyYDDNSKHHXFVLGC-UHFFFAOYSA-N
XLogP3.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.40
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N',N'-diethyl-1-(2-fluorophenyl)-2-methyl-N-propylpropane-1,3-diamine
CID 115996675
N'-(cyclopropylmethyl)-N,N'-diethyl-1-(2-fluorophenyl)-2-methylpropane-1,3-diamine
CID 115996957
N'-ethyl-1-(2-fluorophenyl)-2-methyl-N,N'-dipropylpropane-1,3-diamine
CID 115996717
N-ethyl-1-(2-fluorophenyl)-N',2-dimethyl-N'-pentylpropane-1,3-diamine
CID 115996740
2-[[3-(ethylamino)-3-(2-fluorophenyl)-2-methylpropyl]-methylamino]propan-1-ol
CID 104554579
N'-(2-ethoxyethyl)-N-ethyl-1-(2-fluorophenyl)-N',2-dimethylpropane-1,3-diamine
CID 115997007
N',N'-diethyl-1-(2-fluorophenyl)-2-methylpropane-1,3-diamine
CID 112679793
N'-ethyl-1-(2-fluorophenyl)-N,2-dimethyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 115996806
N-ethyl-1-(2-fluorophenyl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 114282092
N-ethyl-1-(2-fluorophenyl)-N',2-dimethyl-N'-[(2-methylcyclopropyl)methyl]propane-1,3-diamine
CID 115996955
N'-ethyl-1-(2-fluorophenyl)-N,N',2-trimethylpropane-1,3-diamine
CID 112679820
N'-butan-2-yl-N'-ethyl-1-(2-fluorophenyl)-N,2-dimethylpropane-1,3-diamine
CID 115996733

Frequently Asked Questions

What is the IUPAC name of N,N',N'-triethyl-1-(2-fluorophenyl)-2-methylpropane-1,3-diamine?
The IUPAC name of N,N',N'-triethyl-1-(2-fluorophenyl)-2-methylpropane-1,3-diamine (CID 112679791) is N,N',N'-triethyl-1-(2-fluorophenyl)-2-methylpropane-1,3-diamine.
What is the SMILES notation for N,N',N'-triethyl-1-(2-fluorophenyl)-2-methylpropane-1,3-diamine?
The canonical SMILES for N,N',N'-triethyl-1-(2-fluorophenyl)-2-methylpropane-1,3-diamine is CCNC(c1ccccc1F)C(C)CN(CC)CC.
What is the InChIKey of N,N',N'-triethyl-1-(2-fluorophenyl)-2-methylpropane-1,3-diamine?
The InChIKey is YDDNSKHHXFVLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27FN2/c1-5-18-16(13(4)12-19(6-2)7-3)14-10-8-9-11-15(14)17/h8-11,13,16,18H,5-7,12H2,1-4H3.
What are the key properties of N,N',N'-triethyl-1-(2-fluorophenyl)-2-methylpropane-1,3-diamine?
N,N',N'-triethyl-1-(2-fluorophenyl)-2-methylpropane-1,3-diamine has a molecular weight of 266.40 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N',N'-triethyl-1-(2-fluorophenyl)-2-methylpropane-1,3-diamine is sourced from PubChem (CID 112679791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).