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

C13H19F2N — CID 115726286

IUPACN-[2-(2,5-difluorophenyl)ethyl]pentan-2-amine
SMILESCCCC(C)NCCc1cc(F)ccc1F
InChIInChI=1S/C13H19F2N/c1-3-4-10(2)16-8-7-11-9-12(14)5-6-13(11)15/h5-6,9-10,16H,3-4,7-8H2,1-2H3
InChIKeyCCAOIKAPFPGCCF-UHFFFAOYSA-N
MW227.30 g/mol
LogP3.29
Rot. Bonds6

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

N-[2-(2,5-difluorophenyl)ethyl]pentan-2-amine (PubChem CID 115726286) has the molecular formula C13H19F2N and a molecular weight of 227.30 g/mol. Its IUPAC name is N-[2-(2,5-difluorophenyl)ethyl]pentan-2-amine.

Molecular Properties

Compound NameN-[2-(2,5-difluorophenyl)ethyl]pentan-2-amine
PubChem CID115726286
Molecular FormulaC13H19F2N
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC NameN-[2-(2,5-difluorophenyl)ethyl]pentan-2-amine
SMILESCCCC(C)NCCc1cc(F)ccc1F
InChIInChI=1S/C13H19F2N/c1-3-4-10(2)16-8-7-11-9-12(14)5-6-13(11)15/h5-6,9-10,16H,3-4,7-8H2,1-2H3
InChIKeyCCAOIKAPFPGCCF-UHFFFAOYSA-N
XLogP3.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(2,5-difluorophenyl)ethyl]-3-methylbutan-2-amine
CID 115726285
N-[1-(2,5-difluorophenyl)propan-2-yl]butan-1-amine
CID 82262467
N-[(2,5-difluorophenyl)methyl]hexan-2-amine
CID 62196749
N-[(2,4-difluorophenyl)methyl]pentan-2-amine
CID 43177713
2-[2-(2,5-difluorophenyl)ethylamino]-3-methylbutan-1-ol
CID 115137699
5-(2,5-difluorophenyl)-N-methylpentan-2-amine
CID 64502622
(2R)-N-[(2,5-difluorophenyl)methyl]butan-2-amine
CID 93284909
N-[(2,5-difluorophenyl)methyl]hexan-3-amine
CID 62119463
4-(2,5-difluorophenyl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 64666043
4-(2,5-difluorophenyl)sulfanyl-N-propylbutan-2-amine
CID 64649454
methyl (2R)-2-[2-(2,5-difluorophenyl)ethylamino]butanoate
CID 129402328
N-[2-(2,5-difluorophenoxy)propyl]pentan-2-amine
CID 63272991

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-difluorophenyl)ethyl]pentan-2-amine?
The IUPAC name of N-[2-(2,5-difluorophenyl)ethyl]pentan-2-amine (CID 115726286) is N-[2-(2,5-difluorophenyl)ethyl]pentan-2-amine.
What is the SMILES notation for N-[2-(2,5-difluorophenyl)ethyl]pentan-2-amine?
The canonical SMILES for N-[2-(2,5-difluorophenyl)ethyl]pentan-2-amine is CCCC(C)NCCc1cc(F)ccc1F.
What is the InChIKey of N-[2-(2,5-difluorophenyl)ethyl]pentan-2-amine?
The InChIKey is CCAOIKAPFPGCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N/c1-3-4-10(2)16-8-7-11-9-12(14)5-6-13(11)15/h5-6,9-10,16H,3-4,7-8H2,1-2H3.
What are the key properties of N-[2-(2,5-difluorophenyl)ethyl]pentan-2-amine?
N-[2-(2,5-difluorophenyl)ethyl]pentan-2-amine has a molecular weight of 227.30 g/mol, XLogP of 3.29, 6 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]pentan-2-amine is sourced from PubChem (CID 115726286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).