N-[2-(2,5-difluorophenyl)ethyl]-3-methylbutan-2-amine

C13H19F2N — CID 115726285

IUPACN-[2-(2,5-difluorophenyl)ethyl]-3-methylbutan-2-amine
SMILESCC(C)C(C)NCCc1cc(F)ccc1F
InChIInChI=1S/C13H19F2N/c1-9(2)10(3)16-7-6-11-8-12(14)4-5-13(11)15/h4-5,8-10,16H,6-7H2,1-3H3
InChIKeyYZERACRVEPXJLH-UHFFFAOYSA-N
MW227.30 g/mol
LogP3.14
Rot. Bonds5

About N-[2-(2,5-difluorophenyl)ethyl]-3-methylbutan-2-amine

N-[2-(2,5-difluorophenyl)ethyl]-3-methylbutan-2-amine (PubChem CID 115726285) has the molecular formula C13H19F2N and a molecular weight of 227.30 g/mol. Its IUPAC name is N-[2-(2,5-difluorophenyl)ethyl]-3-methylbutan-2-amine.

Molecular Properties

Compound NameN-[2-(2,5-difluorophenyl)ethyl]-3-methylbutan-2-amine
PubChem CID115726285
Molecular FormulaC13H19F2N
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC NameN-[2-(2,5-difluorophenyl)ethyl]-3-methylbutan-2-amine
SMILESCC(C)C(C)NCCc1cc(F)ccc1F
InChIInChI=1S/C13H19F2N/c1-9(2)10(3)16-7-6-11-8-12(14)4-5-13(11)15/h4-5,8-10,16H,6-7H2,1-3H3
InChIKeyYZERACRVEPXJLH-UHFFFAOYSA-N
XLogP3.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-(2,5-difluorophenyl)ethylamino]-3-methylbutan-1-ol
CID 115137699
N-[2-(2,5-difluorophenyl)ethyl]pentan-2-amine
CID 115726286
N-[2-(5-chloro-2-fluorophenyl)ethyl]propan-2-amine
CID 82471422
2-amino-N-[2-(2,5-difluorophenyl)ethyl]propanamide
CID 115152492
methyl (2R)-2-[2-(2,5-difluorophenyl)ethylamino]butanoate
CID 129402328
4-(2,5-difluorophenyl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 64666043
N'-[2-(2,5-difluorophenyl)ethyl]ethane-1,2-diamine
CID 115195405
N-[2-(5-bromo-2-fluorophenyl)ethyl]propan-2-amine
CID 62548311
N-[2-(2,4-difluorophenoxy)ethyl]-3-methylbutan-2-amine
CID 55088305
1-(2,5-difluorophenyl)-N-ethyl-3,4-dimethylpentan-2-amine
CID 115810544
2-[2-(2,5-difluorophenyl)ethylamino]-2-methylpropanoic acid
CID 115128075
5-(2,5-difluorophenyl)-N-methylpentan-2-amine
CID 64502622

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-difluorophenyl)ethyl]-3-methylbutan-2-amine?
The IUPAC name of N-[2-(2,5-difluorophenyl)ethyl]-3-methylbutan-2-amine (CID 115726285) is N-[2-(2,5-difluorophenyl)ethyl]-3-methylbutan-2-amine.
What is the SMILES notation for N-[2-(2,5-difluorophenyl)ethyl]-3-methylbutan-2-amine?
The canonical SMILES for N-[2-(2,5-difluorophenyl)ethyl]-3-methylbutan-2-amine is CC(C)C(C)NCCc1cc(F)ccc1F.
What is the InChIKey of N-[2-(2,5-difluorophenyl)ethyl]-3-methylbutan-2-amine?
The InChIKey is YZERACRVEPXJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N/c1-9(2)10(3)16-7-6-11-8-12(14)4-5-13(11)15/h4-5,8-10,16H,6-7H2,1-3H3.
What are the key properties of N-[2-(2,5-difluorophenyl)ethyl]-3-methylbutan-2-amine?
N-[2-(2,5-difluorophenyl)ethyl]-3-methylbutan-2-amine has a molecular weight of 227.30 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-difluorophenyl)ethyl]-3-methylbutan-2-amine is sourced from PubChem (CID 115726285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).