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

C14H24N2 — CID 54806957

IUPACN-butyl-N'-(2-phenylethyl)ethane-1,2-diamine
SMILESCCCCNCCNCCc1ccccc1
InChIInChI=1S/C14H24N2/c1-2-3-10-15-12-13-16-11-9-14-7-5-4-6-8-14/h4-8,15-16H,2-3,9-13H2,1H3
InChIKeyKHASYNPUQOFDGA-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.21
Rot. Bonds9

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

N-butyl-N'-(2-phenylethyl)ethane-1,2-diamine (PubChem CID 54806957) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N-butyl-N'-(2-phenylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-butyl-N'-(2-phenylethyl)ethane-1,2-diamine
PubChem CID54806957
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN-butyl-N'-(2-phenylethyl)ethane-1,2-diamine
SMILESCCCCNCCNCCc1ccccc1
InChIInChI=1S/C14H24N2/c1-2-3-10-15-12-13-16-11-9-14-7-5-4-6-8-14/h4-8,15-16H,2-3,9-13H2,1H3
InChIKeyKHASYNPUQOFDGA-UHFFFAOYSA-N
XLogP2.21
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-phenylethyl)undecan-1-amine
CID 141108004
N-(4-phenylbutyl)hexan-1-amine
CID 54151992
11-phenyl-N-undecylundecan-1-amine
CID 175593224
N'-(4-phenylbutyl)-N-propylethane-1,2-diamine
CID 113405226
N-(3-phenylpropyl)undecan-1-amine
CID 10469447
N,N'-bis(2-phenylethyl)octane-1,8-diamine;dihydrobromide
CID 3029610
3-phenyl-N-(2-phenylethyl)propan-1-amine;hydrochloride
CID 54603294
N,N'-bis(2-phenylethyl)heptane-1,7-diamine;dihydrobromide
CID 3028511
3-phenyl-N-propylpropan-1-amine;hydrochloride
CID 75357720
5-phenyl-N-propylpentan-1-amine
CID 62530615
3-ethylsulfonyl-N-(2-phenylethyl)propan-1-amine
CID 65094242
azane;N-benzylbutan-1-amine
CID 175388745

Frequently Asked Questions

What is the IUPAC name of N-butyl-N'-(2-phenylethyl)ethane-1,2-diamine?
The IUPAC name of N-butyl-N'-(2-phenylethyl)ethane-1,2-diamine (CID 54806957) is N-butyl-N'-(2-phenylethyl)ethane-1,2-diamine.
What is the SMILES notation for N-butyl-N'-(2-phenylethyl)ethane-1,2-diamine?
The canonical SMILES for N-butyl-N'-(2-phenylethyl)ethane-1,2-diamine is CCCCNCCNCCc1ccccc1.
What is the InChIKey of N-butyl-N'-(2-phenylethyl)ethane-1,2-diamine?
The InChIKey is KHASYNPUQOFDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-2-3-10-15-12-13-16-11-9-14-7-5-4-6-8-14/h4-8,15-16H,2-3,9-13H2,1H3.
What are the key properties of N-butyl-N'-(2-phenylethyl)ethane-1,2-diamine?
N-butyl-N'-(2-phenylethyl)ethane-1,2-diamine has a molecular weight of 220.36 g/mol, XLogP of 2.21, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N'-(2-phenylethyl)ethane-1,2-diamine is sourced from PubChem (CID 54806957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).