1-(2-chloro-5-fluorophenyl)-2-N,3-N,3-N-triethyl-3-methylbutane-2,3-diamine

C17H28ClFN2 — CID 102619050

IUPAC1-(2-chloro-5-fluorophenyl)-2-N,3-N,3-N-triethyl-3-methylbutane-2,3-diamine
SMILESCCNC(Cc1cc(F)ccc1Cl)C(C)(C)N(CC)CC
InChIInChI=1S/C17H28ClFN2/c1-6-20-16(17(4,5)21(7-2)8-3)12-13-11-14(19)9-10-15(13)18/h9-11,16,20H,6-8,12H2,1-5H3
InChIKeyAYNCVKJWCZPXQR-UHFFFAOYSA-N
MW314.88 g/mol
LogP4.12
Rot. Bonds8

About 1-(2-chloro-5-fluorophenyl)-2-N,3-N,3-N-triethyl-3-methylbutane-2,3-diamine

1-(2-chloro-5-fluorophenyl)-2-N,3-N,3-N-triethyl-3-methylbutane-2,3-diamine (PubChem CID 102619050) has the molecular formula C17H28ClFN2 and a molecular weight of 314.88 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-2-N,3-N,3-N-triethyl-3-methylbutane-2,3-diamine.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-2-N,3-N,3-N-triethyl-3-methylbutane-2,3-diamine
PubChem CID102619050
Molecular FormulaC17H28ClFN2
Molecular Weight314.88 g/mol
Exact Mass314.19
IUPAC Name1-(2-chloro-5-fluorophenyl)-2-N,3-N,3-N-triethyl-3-methylbutane-2,3-diamine
SMILESCCNC(Cc1cc(F)ccc1Cl)C(C)(C)N(CC)CC
InChIInChI=1S/C17H28ClFN2/c1-6-20-16(17(4,5)21(7-2)8-3)12-13-11-14(19)9-10-15(13)18/h9-11,16,20H,6-8,12H2,1-5H3
InChIKeyAYNCVKJWCZPXQR-UHFFFAOYSA-N
XLogP4.12
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.88
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-5-fluorophenyl)-3-N,3-N-diethyl-2-N,3-dimethylbutane-2,3-diamine
CID 102619049
1-(2-chloro-5-fluorophenyl)-N-ethyl-5,5,5-trifluoropentan-2-amine
CID 102619141
1-(2-bromo-5-fluorophenyl)-2-N-ethyl-3-N,3-N,3-trimethylpentane-2,3-diamine
CID 79063287
1-(2-chloro-5-fluorophenyl)-N-ethyl-4-methylpentan-2-amine
CID 102618580
1-(2,5-difluorophenyl)-2-N-ethyl-3-N,3-N,3-trimethylpentane-2,3-diamine
CID 79064460
1-(2-bromo-5-fluorophenyl)-2-N,3-diethyl-3-N,3-N-dimethylpentane-2,3-diamine
CID 79058846
2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-methylphenyl)ethanamine
CID 102618480
2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-iodophenyl)ethanamine
CID 102622580
2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(2-fluorophenyl)ethanamine
CID 102618857
1-(4-bromo-3-methylphenyl)-2-(2-chloro-5-fluorophenyl)-N-ethylethanamine
CID 102622870
1-(2-chloro-5-fluorophenyl)-N,3-dimethyl-3-piperidin-1-ylbutan-2-amine
CID 102619055
1-N,2-N,2-N-triethyl-1-(4-fluoro-2-methylphenyl)-2-methylpropane-1,2-diamine
CID 79056921

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-2-N,3-N,3-N-triethyl-3-methylbutane-2,3-diamine?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-2-N,3-N,3-N-triethyl-3-methylbutane-2,3-diamine (CID 102619050) is 1-(2-chloro-5-fluorophenyl)-2-N,3-N,3-N-triethyl-3-methylbutane-2,3-diamine.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-2-N,3-N,3-N-triethyl-3-methylbutane-2,3-diamine?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-2-N,3-N,3-N-triethyl-3-methylbutane-2,3-diamine is CCNC(Cc1cc(F)ccc1Cl)C(C)(C)N(CC)CC.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-2-N,3-N,3-N-triethyl-3-methylbutane-2,3-diamine?
The InChIKey is AYNCVKJWCZPXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClFN2/c1-6-20-16(17(4,5)21(7-2)8-3)12-13-11-14(19)9-10-15(13)18/h9-11,16,20H,6-8,12H2,1-5H3.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-2-N,3-N,3-N-triethyl-3-methylbutane-2,3-diamine?
1-(2-chloro-5-fluorophenyl)-2-N,3-N,3-N-triethyl-3-methylbutane-2,3-diamine has a molecular weight of 314.88 g/mol, XLogP of 4.12, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-2-N,3-N,3-N-triethyl-3-methylbutane-2,3-diamine is sourced from PubChem (CID 102619050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).