N',N'-diethyl-N-(2-phenylethyl)ethane-1,2-diamine

C14H24N2 — CID 12882439

IUPACN',N'-diethyl-N-(2-phenylethyl)ethane-1,2-diamine
SMILESCCN(CC)CCNCCc1ccccc1
InChIInChI=1S/C14H24N2/c1-3-16(4-2)13-12-15-11-10-14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3
InChIKeyWUIFHYMUVDPLHT-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.16
Rot. Bonds8

About N',N'-diethyl-N-(2-phenylethyl)ethane-1,2-diamine

N',N'-diethyl-N-(2-phenylethyl)ethane-1,2-diamine (PubChem CID 12882439) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N',N'-diethyl-N-(2-phenylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-(2-phenylethyl)ethane-1,2-diamine
PubChem CID12882439
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN',N'-diethyl-N-(2-phenylethyl)ethane-1,2-diamine
SMILESCCN(CC)CCNCCc1ccccc1
InChIInChI=1S/C14H24N2/c1-3-16(4-2)13-12-15-11-10-14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3
InChIKeyWUIFHYMUVDPLHT-UHFFFAOYSA-N
XLogP2.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N',N'-tris(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 54603767
N',N'-diethyl-N-(3-phenylpropyl)ethane-1,2-diamine;oxalic acid;hydrate
CID 19869425
N'-benzyl-N-[2-(diethylamino)ethyl]-N'-methylethane-1,2-diamine
CID 62574688
N',N'-diethyl-N-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine
CID 43566239
N-[2-(4-ethenylphenyl)ethyl]-N',N'-diethylethane-1,2-diamine
CID 139721911
N'-[2-(diethylamino)ethyl]-N-(2-phenylethyl)butanediamide
CID 51362720
N-benzyl-N'-ethyl-N'-propylethane-1,2-diamine
CID 62573632
N'-benzyl-N'-ethyl-N-pentylethane-1,2-diamine
CID 62574894
N',N'-diethyl-N-(2-methyl-4-phenylbutan-2-yl)ethane-1,2-diamine
CID 115997324
N,N-diethyl-3-phenylpropan-1-amine;hydrate
CID 172794416
N',N'-diethyl-N-[3-(4-methylphenyl)propyl]ethane-1,2-diamine
CID 113406144
N-butyl-N'-(2-phenylethyl)ethane-1,2-diamine
CID 54806957

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-(2-phenylethyl)ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-(2-phenylethyl)ethane-1,2-diamine (CID 12882439) is N',N'-diethyl-N-(2-phenylethyl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-(2-phenylethyl)ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-(2-phenylethyl)ethane-1,2-diamine is CCN(CC)CCNCCc1ccccc1.
What is the InChIKey of N',N'-diethyl-N-(2-phenylethyl)ethane-1,2-diamine?
The InChIKey is WUIFHYMUVDPLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-3-16(4-2)13-12-15-11-10-14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3.
What are the key properties of N',N'-diethyl-N-(2-phenylethyl)ethane-1,2-diamine?
N',N'-diethyl-N-(2-phenylethyl)ethane-1,2-diamine has a molecular weight of 220.36 g/mol, XLogP of 2.16, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-(2-phenylethyl)ethane-1,2-diamine is sourced from PubChem (CID 12882439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).