5-phenylheptan-2-amine

C13H21N — CID 83936540

IUPAC5-phenylheptan-2-amine
SMILESCCC(CCC(C)N)c1ccccc1
InChIInChI=1S/C13H21N/c1-3-12(10-9-11(2)14)13-7-5-4-6-8-13/h4-8,11-12H,3,9-10,14H2,1-2H3
InChIKeyZKNPZDIUNXCHAN-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.31
Rot. Bonds5

About 5-phenylheptan-2-amine

5-phenylheptan-2-amine (PubChem CID 83936540) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 5-phenylheptan-2-amine.

Molecular Properties

Compound Name5-phenylheptan-2-amine
PubChem CID83936540
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name5-phenylheptan-2-amine
SMILESCCC(CCC(C)N)c1ccccc1
InChIInChI=1S/C13H21N/c1-3-12(10-9-11(2)14)13-7-5-4-6-8-13/h4-8,11-12H,3,9-10,14H2,1-2H3
InChIKeyZKNPZDIUNXCHAN-UHFFFAOYSA-N
XLogP3.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(4-chlorophenyl)heptan-2-amine
CID 83931168
1-(5-phenylheptan-2-yl)-4-propan-2-ylbenzene
CID 58836420
azane;pentan-3-ylbenzene
CID 19774895
2-methyl-6-phenyloctan-3-one
CID 157318832
heptan-3-ylbenzene;methane
CID 159006232
octan-3-ylbenzene
CID 519547
5-(3-propan-2-ylsulfonylphenyl)heptan-2-amine
CID 83926965
(1-ethyl-9-phenyldecyl)benzene
CID 154659486
ethane;(1-ethyl-5-phenylhexyl)benzene
CID 154659485
2-(aminomethyl)-5-phenylheptanoic acid
CID 69271345
hydrogen peroxide;1-phenylbutan-2-ylbenzene
CID 19777291
ethane;N-methyl-3-phenylpentan-1-amine
CID 165125181

Frequently Asked Questions

What is the IUPAC name of 5-phenylheptan-2-amine?
The IUPAC name of 5-phenylheptan-2-amine (CID 83936540) is 5-phenylheptan-2-amine.
What is the SMILES notation for 5-phenylheptan-2-amine?
The canonical SMILES for 5-phenylheptan-2-amine is CCC(CCC(C)N)c1ccccc1.
What is the InChIKey of 5-phenylheptan-2-amine?
The InChIKey is ZKNPZDIUNXCHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-3-12(10-9-11(2)14)13-7-5-4-6-8-13/h4-8,11-12H,3,9-10,14H2,1-2H3.
What are the key properties of 5-phenylheptan-2-amine?
5-phenylheptan-2-amine has a molecular weight of 191.32 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylheptan-2-amine is sourced from PubChem (CID 83936540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).