2-N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine

C15H24ClFN2 — CID 61476660

IUPAC2-N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
SMILESCC(NC(CN(C)C)C(C)C)c1ccc(F)cc1Cl
InChIInChI=1S/C15H24ClFN2/c1-10(2)15(9-19(4)5)18-11(3)13-7-6-12(17)8-14(13)16/h6-8,10-11,15,18H,9H2,1-5H3
InChIKeyZZGVQXDHXICHDX-UHFFFAOYSA-N
MW286.82 g/mol
LogP3.72
Rot. Bonds6

About 2-N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine

2-N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine (PubChem CID 61476660) has the molecular formula C15H24ClFN2 and a molecular weight of 286.82 g/mol. Its IUPAC name is 2-N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
PubChem CID61476660
Molecular FormulaC15H24ClFN2
Molecular Weight286.82 g/mol
Exact Mass286.16
IUPAC Name2-N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
SMILESCC(NC(CN(C)C)C(C)C)c1ccc(F)cc1Cl
InChIInChI=1S/C15H24ClFN2/c1-10(2)15(9-19(4)5)18-11(3)13-7-6-12(17)8-14(13)16/h6-8,10-11,15,18H,9H2,1-5H3
InChIKeyZZGVQXDHXICHDX-UHFFFAOYSA-N
XLogP3.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.82
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-[1-(2-bromo-4-fluorophenyl)ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 103778387
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 43766668
2-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 63454265
1-N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 43767797
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-methoxypropan-2-amine
CID 43758401
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-phenylethanamine
CID 43755948
2-[1-(2-chloro-4-fluorophenyl)ethylamino]butan-1-ol
CID 43771126
N-[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]-2-methylpropan-1-amine
CID 93281096
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(2,4-dimethylphenyl)ethanamine
CID 63449279
1-[1-(2-chloro-4-fluorophenyl)ethylamino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 103904335
methyl (2S)-2-[1-(2-chloro-4-fluorophenyl)ethylamino]-3-methylbutanoate
CID 43776132
2-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 61476075

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine?
The IUPAC name of 2-N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine (CID 61476660) is 2-N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine.
What is the SMILES notation for 2-N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine?
The canonical SMILES for 2-N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine is CC(NC(CN(C)C)C(C)C)c1ccc(F)cc1Cl.
What is the InChIKey of 2-N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine?
The InChIKey is ZZGVQXDHXICHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClFN2/c1-10(2)15(9-19(4)5)18-11(3)13-7-6-12(17)8-14(13)16/h6-8,10-11,15,18H,9H2,1-5H3.
What are the key properties of 2-N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine?
2-N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine has a molecular weight of 286.82 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine is sourced from PubChem (CID 61476660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).