N-ethyl-1-phenylpentan-2-amine

C13H21N — CID 60819355

IUPACN-ethyl-1-phenylpentan-2-amine
SMILESCCCC(Cc1ccccc1)NCC
InChIInChI=1S/C13H21N/c1-3-8-13(14-4-2)11-12-9-6-5-7-10-12/h5-7,9-10,13-14H,3-4,8,11H2,1-2H3
InChIKeyLLTXYACYGSURSM-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.01
Rot. Bonds6

About N-ethyl-1-phenylpentan-2-amine

N-ethyl-1-phenylpentan-2-amine (PubChem CID 60819355) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is N-ethyl-1-phenylpentan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-phenylpentan-2-amine
PubChem CID60819355
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC NameN-ethyl-1-phenylpentan-2-amine
SMILESCCCC(Cc1ccccc1)NCC
InChIInChI=1S/C13H21N/c1-3-8-13(14-4-2)11-12-9-6-5-7-10-12/h5-7,9-10,13-14H,3-4,8,11H2,1-2H3
InChIKeyLLTXYACYGSURSM-UHFFFAOYSA-N
XLogP3.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-phenylpentan-2-amine?
The IUPAC name of N-ethyl-1-phenylpentan-2-amine (CID 60819355) is N-ethyl-1-phenylpentan-2-amine.
What is the SMILES notation for N-ethyl-1-phenylpentan-2-amine?
The canonical SMILES for N-ethyl-1-phenylpentan-2-amine is CCCC(Cc1ccccc1)NCC.
What is the InChIKey of N-ethyl-1-phenylpentan-2-amine?
The InChIKey is LLTXYACYGSURSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-3-8-13(14-4-2)11-12-9-6-5-7-10-12/h5-7,9-10,13-14H,3-4,8,11H2,1-2H3.
What are the key properties of N-ethyl-1-phenylpentan-2-amine?
N-ethyl-1-phenylpentan-2-amine has a molecular weight of 191.32 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-phenylpentan-2-amine is sourced from PubChem (CID 60819355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).