1-N-ethyl-1-(2-fluorophenyl)-1-N-(2-methylpropyl)butane-1,2-diamine

C16H27FN2 — CID 55019022

IUPAC1-N-ethyl-1-(2-fluorophenyl)-1-N-(2-methylpropyl)butane-1,2-diamine
SMILESCCC(N)C(c1ccccc1F)N(CC)CC(C)C
InChIInChI=1S/C16H27FN2/c1-5-15(18)16(19(6-2)11-12(3)4)13-9-7-8-10-14(13)17/h7-10,12,15-16H,5-6,11,18H2,1-4H3
InChIKeyUYCFJHJSVHGNSU-UHFFFAOYSA-N
MW266.40 g/mol
LogP3.58
Rot. Bonds7

About 1-N-ethyl-1-(2-fluorophenyl)-1-N-(2-methylpropyl)butane-1,2-diamine

1-N-ethyl-1-(2-fluorophenyl)-1-N-(2-methylpropyl)butane-1,2-diamine (PubChem CID 55019022) has the molecular formula C16H27FN2 and a molecular weight of 266.40 g/mol. Its IUPAC name is 1-N-ethyl-1-(2-fluorophenyl)-1-N-(2-methylpropyl)butane-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-1-(2-fluorophenyl)-1-N-(2-methylpropyl)butane-1,2-diamine
PubChem CID55019022
Molecular FormulaC16H27FN2
Molecular Weight266.40 g/mol
Exact Mass266.22
IUPAC Name1-N-ethyl-1-(2-fluorophenyl)-1-N-(2-methylpropyl)butane-1,2-diamine
SMILESCCC(N)C(c1ccccc1F)N(CC)CC(C)C
InChIInChI=1S/C16H27FN2/c1-5-15(18)16(19(6-2)11-12(3)4)13-9-7-8-10-14(13)17/h7-10,12,15-16H,5-6,11,18H2,1-4H3
InChIKeyUYCFJHJSVHGNSU-UHFFFAOYSA-N
XLogP3.58
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.40
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-ethyl-1-(2-fluorophenyl)-1-N-(2-methylpropyl)propane-1,2-diamine
CID 55019021
1-N-ethyl-1-(2-fluorophenyl)-1-N-(2-methylbutyl)propane-1,2-diamine
CID 79477287
3-[[2-amino-1-(2-fluorophenyl)butyl]-ethylamino]propanenitrile
CID 55019174
1-(2-fluorophenyl)-1-N-(2-methylpropyl)-1-N-pentan-3-ylpropane-1,2-diamine
CID 79489988
1-(2-fluorophenyl)-1-N-methyl-1-N-propylbutane-1,2-diamine
CID 55018970
1-N-ethyl-1-(2-methoxyphenyl)-1-N-(2-methylbutyl)butane-1,2-diamine
CID 79481507
3-[[2-amino-1-(2-fluorophenyl)propyl]-ethylamino]propan-1-ol
CID 113468603
1-(2-bromophenyl)-1-N-ethyl-1-N-(2-ethylbutyl)butane-1,2-diamine
CID 63406104
1-(2-fluorophenyl)propan-1-amine
CID 18439474
1-(2-fluorophenyl)-1-N-(2-methoxyethyl)-1-N-propan-2-ylbutane-1,2-diamine
CID 82949014
1-(2-fluorophenyl)-1-N-methyl-1-N-(2-methylbutyl)propane-1,2-diamine
CID 55019117
2-[[2-amino-1-(2-fluorophenyl)propyl]-ethylamino]acetamide
CID 103101337

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-1-(2-fluorophenyl)-1-N-(2-methylpropyl)butane-1,2-diamine?
The IUPAC name of 1-N-ethyl-1-(2-fluorophenyl)-1-N-(2-methylpropyl)butane-1,2-diamine (CID 55019022) is 1-N-ethyl-1-(2-fluorophenyl)-1-N-(2-methylpropyl)butane-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-1-(2-fluorophenyl)-1-N-(2-methylpropyl)butane-1,2-diamine?
The canonical SMILES for 1-N-ethyl-1-(2-fluorophenyl)-1-N-(2-methylpropyl)butane-1,2-diamine is CCC(N)C(c1ccccc1F)N(CC)CC(C)C.
What is the InChIKey of 1-N-ethyl-1-(2-fluorophenyl)-1-N-(2-methylpropyl)butane-1,2-diamine?
The InChIKey is UYCFJHJSVHGNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27FN2/c1-5-15(18)16(19(6-2)11-12(3)4)13-9-7-8-10-14(13)17/h7-10,12,15-16H,5-6,11,18H2,1-4H3.
What are the key properties of 1-N-ethyl-1-(2-fluorophenyl)-1-N-(2-methylpropyl)butane-1,2-diamine?
1-N-ethyl-1-(2-fluorophenyl)-1-N-(2-methylpropyl)butane-1,2-diamine has a molecular weight of 266.40 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-1-(2-fluorophenyl)-1-N-(2-methylpropyl)butane-1,2-diamine is sourced from PubChem (CID 55019022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).