6-(3,4-difluorophenyl)heptan-3-amine

C13H19F2N — CID 83936159

IUPAC6-(3,4-difluorophenyl)heptan-3-amine
SMILESCCC(N)CCC(C)c1ccc(F)c(F)c1
InChIInChI=1S/C13H19F2N/c1-3-11(16)6-4-9(2)10-5-7-12(14)13(15)8-10/h5,7-9,11H,3-4,6,16H2,1-2H3
InChIKeyANHNRGCYIAEQAN-UHFFFAOYSA-N
MW227.30 g/mol
LogP3.59
Rot. Bonds5

About 6-(3,4-difluorophenyl)heptan-3-amine

6-(3,4-difluorophenyl)heptan-3-amine (PubChem CID 83936159) has the molecular formula C13H19F2N and a molecular weight of 227.30 g/mol. Its IUPAC name is 6-(3,4-difluorophenyl)heptan-3-amine.

Molecular Properties

Compound Name6-(3,4-difluorophenyl)heptan-3-amine
PubChem CID83936159
Molecular FormulaC13H19F2N
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name6-(3,4-difluorophenyl)heptan-3-amine
SMILESCCC(N)CCC(C)c1ccc(F)c(F)c1
InChIInChI=1S/C13H19F2N/c1-3-11(16)6-4-9(2)10-5-7-12(14)13(15)8-10/h5,7-9,11H,3-4,6,16H2,1-2H3
InChIKeyANHNRGCYIAEQAN-UHFFFAOYSA-N
XLogP3.59
TPSA26.02 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 ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-difluoro-4-propan-2-ylbenzene;propane
CID 143774679
6-(4-ethylphenyl)heptan-3-amine
CID 83922585
6-(4-methoxyphenyl)heptan-3-amine
CID 83932078
6-(4-ethoxy-3-methoxyphenyl)heptan-3-amine
CID 83938317
1,2-difluoro-4-(1-iodopropyl)benzene
CID 70110065
4-(1-bromopropan-2-yl)-1,2-difluorobenzene
CID 66469255
1-(3,4-difluorophenyl)-4-methylpentan-1-amine
CID 43210140
2-(3,4-difluorophenyl)butan-1-amine
CID 82075197
1-(3,4-difluorophenyl)butane-1,3-diamine
CID 116933240
3-[4-(3,4-difluorophenyl)phenyl]butan-1-amine
CID 82542632
1-(3,4-difluorophenyl)hexan-1-amine;hydrochloride
CID 86262840
(1R)-1-(3,4-difluorophenyl)propan-1-ol;(1S)-1-(3,4-difluorophenyl)propan-1-ol
CID 159931966

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-difluorophenyl)heptan-3-amine?
The IUPAC name of 6-(3,4-difluorophenyl)heptan-3-amine (CID 83936159) is 6-(3,4-difluorophenyl)heptan-3-amine.
What is the SMILES notation for 6-(3,4-difluorophenyl)heptan-3-amine?
The canonical SMILES for 6-(3,4-difluorophenyl)heptan-3-amine is CCC(N)CCC(C)c1ccc(F)c(F)c1.
What is the InChIKey of 6-(3,4-difluorophenyl)heptan-3-amine?
The InChIKey is ANHNRGCYIAEQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N/c1-3-11(16)6-4-9(2)10-5-7-12(14)13(15)8-10/h5,7-9,11H,3-4,6,16H2,1-2H3.
What are the key properties of 6-(3,4-difluorophenyl)heptan-3-amine?
6-(3,4-difluorophenyl)heptan-3-amine has a molecular weight of 227.30 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-difluorophenyl)heptan-3-amine is sourced from PubChem (CID 83936159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).