1-N-tert-butyl-2-N-ethyl-2-N-(2-fluorophenyl)butane-1,2-diamine

C16H27FN2 — CID 55074031

IUPAC1-N-tert-butyl-2-N-ethyl-2-N-(2-fluorophenyl)butane-1,2-diamine
SMILESCCC(CNC(C)(C)C)N(CC)c1ccccc1F
InChIInChI=1S/C16H27FN2/c1-6-13(12-18-16(3,4)5)19(7-2)15-11-9-8-10-14(15)17/h8-11,13,18H,6-7,12H2,1-5H3
InChIKeyXAWCENGXZMKSSK-UHFFFAOYSA-N
MW266.40 g/mol
LogP3.82
Rot. Bonds6

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

1-N-tert-butyl-2-N-ethyl-2-N-(2-fluorophenyl)butane-1,2-diamine (PubChem CID 55074031) has the molecular formula C16H27FN2 and a molecular weight of 266.40 g/mol. Its IUPAC name is 1-N-tert-butyl-2-N-ethyl-2-N-(2-fluorophenyl)butane-1,2-diamine.

Molecular Properties

Compound Name1-N-tert-butyl-2-N-ethyl-2-N-(2-fluorophenyl)butane-1,2-diamine
PubChem CID55074031
Molecular FormulaC16H27FN2
Molecular Weight266.40 g/mol
Exact Mass266.22
IUPAC Name1-N-tert-butyl-2-N-ethyl-2-N-(2-fluorophenyl)butane-1,2-diamine
SMILESCCC(CNC(C)(C)C)N(CC)c1ccccc1F
InChIInChI=1S/C16H27FN2/c1-6-13(12-18-16(3,4)5)19(7-2)15-11-9-8-10-14(15)17/h8-11,13,18H,6-7,12H2,1-5H3
InChIKeyXAWCENGXZMKSSK-UHFFFAOYSA-N
XLogP3.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.40
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-ethyl-2-N-(2-fluorophenyl)-1-N-methylbutane-1,2-diamine
CID 62429680
1-N-tert-butyl-2-N-ethyl-2-N-phenylbutane-1,2-diamine
CID 62424673
2-N-benzyl-1-N-tert-butyl-2-N-methylbutane-1,2-diamine
CID 62424737
2-(tert-butylamino)-N-ethyl-N-(2-fluorophenyl)acetamide
CID 112727460
2-[2-[(tert-butylamino)methyl]-N-pentan-3-ylanilino]ethanol
CID 63070901
2-N-ethyl-2-N-naphthalen-1-yl-1-N-propylbutane-1,2-diamine
CID 63492049
N-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]-2-fluoro-N-methylaniline
CID 63495939
1-N-tert-butyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 62463060
1-N-tert-butyl-2-N-methyl-2-N-(2-thiophen-2-ylethyl)butane-1,2-diamine
CID 79494868
N-tert-butyl-2-(2-fluorophenyl)sulfanyl-3-methylbutan-1-amine
CID 62584833
3-N-ethyl-3-N-naphthalen-1-ylpentane-1,3-diamine
CID 43428349
N-[2-(2-fluorophenyl)-2-(2-propoxyethoxy)ethyl]-2-methylpropan-2-amine
CID 63685998

Frequently Asked Questions

What is the IUPAC name of 1-N-tert-butyl-2-N-ethyl-2-N-(2-fluorophenyl)butane-1,2-diamine?
The IUPAC name of 1-N-tert-butyl-2-N-ethyl-2-N-(2-fluorophenyl)butane-1,2-diamine (CID 55074031) is 1-N-tert-butyl-2-N-ethyl-2-N-(2-fluorophenyl)butane-1,2-diamine.
What is the SMILES notation for 1-N-tert-butyl-2-N-ethyl-2-N-(2-fluorophenyl)butane-1,2-diamine?
The canonical SMILES for 1-N-tert-butyl-2-N-ethyl-2-N-(2-fluorophenyl)butane-1,2-diamine is CCC(CNC(C)(C)C)N(CC)c1ccccc1F.
What is the InChIKey of 1-N-tert-butyl-2-N-ethyl-2-N-(2-fluorophenyl)butane-1,2-diamine?
The InChIKey is XAWCENGXZMKSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27FN2/c1-6-13(12-18-16(3,4)5)19(7-2)15-11-9-8-10-14(15)17/h8-11,13,18H,6-7,12H2,1-5H3.
What are the key properties of 1-N-tert-butyl-2-N-ethyl-2-N-(2-fluorophenyl)butane-1,2-diamine?
1-N-tert-butyl-2-N-ethyl-2-N-(2-fluorophenyl)butane-1,2-diamine has a molecular weight of 266.40 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-tert-butyl-2-N-ethyl-2-N-(2-fluorophenyl)butane-1,2-diamine is sourced from PubChem (CID 55074031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).