N-ethyl-1-phenylbutan-2-amine

C12H19N — CID 14833603

IUPACN-ethyl-1-phenylbutan-2-amine
SMILESCCNC(CC)Cc1ccccc1
InChIInChI=1S/C12H19N/c1-3-12(13-4-2)10-11-8-6-5-7-9-11/h5-9,12-13H,3-4,10H2,1-2H3
InChIKeyKHWYSUBVXWWBRB-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.62
Rot. Bonds5

About N-ethyl-1-phenylbutan-2-amine

N-ethyl-1-phenylbutan-2-amine (PubChem CID 14833603) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is N-ethyl-1-phenylbutan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-phenylbutan-2-amine
PubChem CID14833603
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC NameN-ethyl-1-phenylbutan-2-amine
SMILESCCNC(CC)Cc1ccccc1
InChIInChI=1S/C12H19N/c1-3-12(13-4-2)10-11-8-6-5-7-9-11/h5-9,12-13H,3-4,10H2,1-2H3
InChIKeyKHWYSUBVXWWBRB-UHFFFAOYSA-N
XLogP2.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-phenylbutan-2-amine?
The IUPAC name of N-ethyl-1-phenylbutan-2-amine (CID 14833603) is N-ethyl-1-phenylbutan-2-amine.
What is the SMILES notation for N-ethyl-1-phenylbutan-2-amine?
The canonical SMILES for N-ethyl-1-phenylbutan-2-amine is CCNC(CC)Cc1ccccc1.
What is the InChIKey of N-ethyl-1-phenylbutan-2-amine?
The InChIKey is KHWYSUBVXWWBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-3-12(13-4-2)10-11-8-6-5-7-9-11/h5-9,12-13H,3-4,10H2,1-2H3.
What are the key properties of N-ethyl-1-phenylbutan-2-amine?
N-ethyl-1-phenylbutan-2-amine has a molecular weight of 177.29 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-phenylbutan-2-amine is sourced from PubChem (CID 14833603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).