N,N-diethylethanamine;2-phenylethanamine

C14H26N2 — CID 67440073

IUPACN,N-diethylethanamine;2-phenylethanamine
SMILESCCN(CC)CC.NCCc1ccccc1
InChIInChI=1S/C8H11N.C6H15N/c9-7-6-8-4-2-1-3-5-8;1-4-7(5-2)6-3/h1-5H,6-7,9H2;4-6H2,1-3H3
InChIKeyLFPQUMXYHDFGBO-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.54
Rot. Bonds5

About N,N-diethylethanamine;2-phenylethanamine

N,N-diethylethanamine;2-phenylethanamine (PubChem CID 67440073) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is N,N-diethylethanamine;2-phenylethanamine.

Molecular Properties

Compound NameN,N-diethylethanamine;2-phenylethanamine
PubChem CID67440073
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC NameN,N-diethylethanamine;2-phenylethanamine
SMILESCCN(CC)CC.NCCc1ccccc1
InChIInChI=1S/C8H11N.C6H15N/c9-7-6-8-4-2-1-3-5-8;1-4-7(5-2)6-3/h1-5H,6-7,9H2;4-6H2,1-3H3
InChIKeyLFPQUMXYHDFGBO-UHFFFAOYSA-N
XLogP2.54
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N,N-diethylethanamine;2-phenylethanamine 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

azane;2-phenylethanamine
CID 23506485
N'-ethyl-N'-(3-phenylpropyl)propane-1,3-diamine
CID 43137195
2-[4-(2-phenylethyl)phenyl]ethanamine
CID 15036636
4-(2-aminoethyl)-N-benzyl-N-ethylaniline
CID 63783223
3-phenylpropan-1-amine;propane
CID 70273467
dichlorocopper;2-phenylethanamine;hydrochloride
CID 174793680
N,N-diethyl-3-phenylpropan-1-amine;hydrate
CID 172794416
formic acid;2-phenylethanamine
CID 174535099
perchloric acid;2-phenylethanamine
CID 71364418
hydroxy(oxo)phosphanium;2-phenylethanamine
CID 173363711
2-phenylethanamine;N-propylaniline
CID 174836088
azane;N,N-diethyl-3-phenylpropan-1-amine;hydroiodide
CID 175520694

Frequently Asked Questions

What is the IUPAC name of N,N-diethylethanamine;2-phenylethanamine?
The IUPAC name of N,N-diethylethanamine;2-phenylethanamine (CID 67440073) is N,N-diethylethanamine;2-phenylethanamine.
What is the SMILES notation for N,N-diethylethanamine;2-phenylethanamine?
The canonical SMILES for N,N-diethylethanamine;2-phenylethanamine is CCN(CC)CC.NCCc1ccccc1.
What is the InChIKey of N,N-diethylethanamine;2-phenylethanamine?
The InChIKey is LFPQUMXYHDFGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N.C6H15N/c9-7-6-8-4-2-1-3-5-8;1-4-7(5-2)6-3/h1-5H,6-7,9H2;4-6H2,1-3H3.
What are the key properties of N,N-diethylethanamine;2-phenylethanamine?
N,N-diethylethanamine;2-phenylethanamine has a molecular weight of 222.38 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylethanamine;2-phenylethanamine is sourced from PubChem (CID 67440073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).