N',N'-diethyl-1-(2-fluorophenyl)-2-methyl-N-propylpropane-1,3-diamine

C17H29FN2 — CID 115996675

IUPACN',N'-diethyl-1-(2-fluorophenyl)-2-methyl-N-propylpropane-1,3-diamine
SMILESCCCNC(c1ccccc1F)C(C)CN(CC)CC
InChIInChI=1S/C17H29FN2/c1-5-12-19-17(14(4)13-20(6-2)7-3)15-10-8-9-11-16(15)18/h8-11,14,17,19H,5-7,12-13H2,1-4H3
InChIKeyMBZUBSPAKDTZDA-UHFFFAOYSA-N
MW280.43 g/mol
LogP3.84
Rot. Bonds9

About N',N'-diethyl-1-(2-fluorophenyl)-2-methyl-N-propylpropane-1,3-diamine

N',N'-diethyl-1-(2-fluorophenyl)-2-methyl-N-propylpropane-1,3-diamine (PubChem CID 115996675) has the molecular formula C17H29FN2 and a molecular weight of 280.43 g/mol. Its IUPAC name is N',N'-diethyl-1-(2-fluorophenyl)-2-methyl-N-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN',N'-diethyl-1-(2-fluorophenyl)-2-methyl-N-propylpropane-1,3-diamine
PubChem CID115996675
Molecular FormulaC17H29FN2
Molecular Weight280.43 g/mol
Exact Mass280.23
IUPAC NameN',N'-diethyl-1-(2-fluorophenyl)-2-methyl-N-propylpropane-1,3-diamine
SMILESCCCNC(c1ccccc1F)C(C)CN(CC)CC
InChIInChI=1S/C17H29FN2/c1-5-12-19-17(14(4)13-20(6-2)7-3)15-10-8-9-11-16(15)18/h8-11,14,17,19H,5-7,12-13H2,1-4H3
InChIKeyMBZUBSPAKDTZDA-UHFFFAOYSA-N
XLogP3.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.43
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-ethyl-1-(2-fluorophenyl)-2-methyl-N,N'-dipropylpropane-1,3-diamine
CID 115996717
N,N',N'-triethyl-1-(2-fluorophenyl)-2-methylpropane-1,3-diamine
CID 112679791
N'-(cyclopropylmethyl)-N,N'-diethyl-1-(2-fluorophenyl)-2-methylpropane-1,3-diamine
CID 115996957
N',N'-diethyl-1-(2-fluorophenyl)-2-methylpropane-1,3-diamine
CID 112679793
1-(2-fluorophenyl)-2-methyl-N-propyl-3-pyrrolidin-1-ylpropan-1-amine
CID 115996672
N'-ethyl-1-(2-fluorophenyl)-N,2-dimethyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 115996806
N-ethyl-1-(2-fluorophenyl)-N',2-dimethyl-N'-pentylpropane-1,3-diamine
CID 115996740
N'-ethyl-1-(2-fluorophenyl)-N,N',2-trimethylpropane-1,3-diamine
CID 112679820
2-[[3-(ethylamino)-3-(2-fluorophenyl)-2-methylpropyl]-methylamino]propan-1-ol
CID 104554579
N'-butan-2-yl-N'-ethyl-1-(2-fluorophenyl)-N,2-dimethylpropane-1,3-diamine
CID 115996733
2-(2-fluorophenyl)-N-propylpentan-3-amine
CID 79308291
N-ethyl-1-(2-fluorophenyl)-N',2-dimethyl-N'-[(2-methylcyclopropyl)methyl]propane-1,3-diamine
CID 115996955

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-1-(2-fluorophenyl)-2-methyl-N-propylpropane-1,3-diamine?
The IUPAC name of N',N'-diethyl-1-(2-fluorophenyl)-2-methyl-N-propylpropane-1,3-diamine (CID 115996675) is N',N'-diethyl-1-(2-fluorophenyl)-2-methyl-N-propylpropane-1,3-diamine.
What is the SMILES notation for N',N'-diethyl-1-(2-fluorophenyl)-2-methyl-N-propylpropane-1,3-diamine?
The canonical SMILES for N',N'-diethyl-1-(2-fluorophenyl)-2-methyl-N-propylpropane-1,3-diamine is CCCNC(c1ccccc1F)C(C)CN(CC)CC.
What is the InChIKey of N',N'-diethyl-1-(2-fluorophenyl)-2-methyl-N-propylpropane-1,3-diamine?
The InChIKey is MBZUBSPAKDTZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29FN2/c1-5-12-19-17(14(4)13-20(6-2)7-3)15-10-8-9-11-16(15)18/h8-11,14,17,19H,5-7,12-13H2,1-4H3.
What are the key properties of N',N'-diethyl-1-(2-fluorophenyl)-2-methyl-N-propylpropane-1,3-diamine?
N',N'-diethyl-1-(2-fluorophenyl)-2-methyl-N-propylpropane-1,3-diamine has a molecular weight of 280.43 g/mol, XLogP of 3.84, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-1-(2-fluorophenyl)-2-methyl-N-propylpropane-1,3-diamine is sourced from PubChem (CID 115996675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).