N-[1-(2,5-difluorophenyl)ethyl]-6-methylheptan-2-amine

C16H25F2N — CID 43108471

IUPACN-[1-(2,5-difluorophenyl)ethyl]-6-methylheptan-2-amine
SMILESCC(C)CCCC(C)NC(C)c1cc(F)ccc1F
InChIInChI=1S/C16H25F2N/c1-11(2)6-5-7-12(3)19-13(4)15-10-14(17)8-9-16(15)18/h8-13,19H,5-7H2,1-4H3
InChIKeyTVLKEHYZEUPMHM-UHFFFAOYSA-N
MW269.38 g/mol
LogP4.83
Rot. Bonds7

About N-[1-(2,5-difluorophenyl)ethyl]-6-methylheptan-2-amine

N-[1-(2,5-difluorophenyl)ethyl]-6-methylheptan-2-amine (PubChem CID 43108471) has the molecular formula C16H25F2N and a molecular weight of 269.38 g/mol. Its IUPAC name is N-[1-(2,5-difluorophenyl)ethyl]-6-methylheptan-2-amine.

Molecular Properties

Compound NameN-[1-(2,5-difluorophenyl)ethyl]-6-methylheptan-2-amine
PubChem CID43108471
Molecular FormulaC16H25F2N
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC NameN-[1-(2,5-difluorophenyl)ethyl]-6-methylheptan-2-amine
SMILESCC(C)CCCC(C)NC(C)c1cc(F)ccc1F
InChIInChI=1S/C16H25F2N/c1-11(2)6-5-7-12(3)19-13(4)15-10-14(17)8-9-16(15)18/h8-13,19H,5-7H2,1-4H3
InChIKeyTVLKEHYZEUPMHM-UHFFFAOYSA-N
XLogP4.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[1-(2,5-difluorophenyl)ethyl]-6-methylheptan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(2,5-difluorophenyl)ethyl]pentan-2-amine
CID 43191491
5-fluoro-2-[1-(6-methylheptan-2-ylamino)ethyl]phenol
CID 63066533
N-[1-(2,5-difluorophenyl)ethyl]-4-methylsulfanylbutan-2-amine
CID 115639051
(2R)-2-[[(1S)-1-(2,5-difluorophenyl)ethyl]amino]propan-1-ol
CID 93082624
N-[1-(2,5-difluorophenyl)ethyl]-2,6-dimethylheptan-4-amine
CID 43674172
N-[1-(2,5-difluorophenyl)ethyl]-5-methylhexan-1-amine
CID 115325076
N-[1-(2,5-difluorophenyl)ethyl]-4-phenylbutan-2-amine
CID 43110371
1-(2,4-difluorophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine
CID 43674206
N-[1-(2,5-difluorophenyl)ethyl]-1-(2-fluorophenyl)propan-2-amine
CID 114828542
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-5-methylhexan-2-amine
CID 43728698
N-[1-(2,5-difluorophenyl)ethyl]-1-(furan-2-yl)propan-2-amine
CID 43693054
N-[1-(2-chlorophenyl)ethyl]-6-methylheptan-2-amine
CID 43081081

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]-6-methylheptan-2-amine?
The IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]-6-methylheptan-2-amine (CID 43108471) is N-[1-(2,5-difluorophenyl)ethyl]-6-methylheptan-2-amine.
What is the SMILES notation for N-[1-(2,5-difluorophenyl)ethyl]-6-methylheptan-2-amine?
The canonical SMILES for N-[1-(2,5-difluorophenyl)ethyl]-6-methylheptan-2-amine is CC(C)CCCC(C)NC(C)c1cc(F)ccc1F.
What is the InChIKey of N-[1-(2,5-difluorophenyl)ethyl]-6-methylheptan-2-amine?
The InChIKey is TVLKEHYZEUPMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F2N/c1-11(2)6-5-7-12(3)19-13(4)15-10-14(17)8-9-16(15)18/h8-13,19H,5-7H2,1-4H3.
What are the key properties of N-[1-(2,5-difluorophenyl)ethyl]-6-methylheptan-2-amine?
N-[1-(2,5-difluorophenyl)ethyl]-6-methylheptan-2-amine has a molecular weight of 269.38 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-difluorophenyl)ethyl]-6-methylheptan-2-amine is sourced from PubChem (CID 43108471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).