N,N',N'-tris(2-phenylethyl)ethane-1,2-diamine;hydrochloride

C26H33ClN2 — CID 54603767

IUPACN,N',N'-tris(2-phenylethyl)ethane-1,2-diamine;hydrochloride
SMILESCl.c1ccc(CCNCCN(CCc2ccccc2)CCc2ccccc2)cc1
InChIInChI=1S/C26H32N2.ClH/c1-4-10-24(11-5-1)16-19-27-20-23-28(21-17-25-12-6-2-7-13-25)22-18-26-14-8-3-9-15-26;/h1-15,27H,16-23H2;1H
InChIKeyNYEHTCVBSGELAG-UHFFFAOYSA-N
MW409.02 g/mol
LogP5.03
Rot. Bonds12

About N,N',N'-tris(2-phenylethyl)ethane-1,2-diamine;hydrochloride

N,N',N'-tris(2-phenylethyl)ethane-1,2-diamine;hydrochloride (PubChem CID 54603767) has the molecular formula C26H33ClN2 and a molecular weight of 409.02 g/mol. Its IUPAC name is N,N',N'-tris(2-phenylethyl)ethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound NameN,N',N'-tris(2-phenylethyl)ethane-1,2-diamine;hydrochloride
PubChem CID54603767
Molecular FormulaC26H33ClN2
Molecular Weight409.02 g/mol
Exact Mass408.23
IUPAC NameN,N',N'-tris(2-phenylethyl)ethane-1,2-diamine;hydrochloride
SMILESCl.c1ccc(CCNCCN(CCc2ccccc2)CCc2ccccc2)cc1
InChIInChI=1S/C26H32N2.ClH/c1-4-10-24(11-5-1)16-19-27-20-23-28(21-17-25-12-6-2-7-13-25)22-18-26-14-8-3-9-15-26;/h1-15,27H,16-23H2;1H
InChIKeyNYEHTCVBSGELAG-UHFFFAOYSA-N
XLogP5.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.02
LogP ≤ 55.03
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'-diethyl-N-(2-phenylethyl)ethane-1,2-diamine
CID 12882439
3-phenyl-N-(2-phenylethyl)propan-1-amine;hydrochloride
CID 54603294
N,N'-bis(2-phenylethyl)octane-1,8-diamine;dihydrobromide
CID 3029610
N,N'-bis(2-phenylethyl)heptane-1,7-diamine;dihydrobromide
CID 3028511
N-[[4-[[bis(2-phenylethyl)amino]methyl]phenyl]methyl]-2-phenyl-N-(2-phenylethyl)ethanamine
CID 59482591
N'-benzyl-N-[2-[benzyl-[2-(benzylamino)ethyl]amino]ethyl]ethane-1,2-diamine
CID 69031173
N-[2-[2-aminoethyl(2-phenylethyl)amino]ethyl]ethanesulfonamide;hydrochloride
CID 120872331
N-benzyl-2-phenylethanamine;bromomethylbenzene;N,N-dibenzyl-2-phenylethanamine;2-phenylethanamine
CID 159505381
N'-[2-[2-(dibenzylamino)ethylamino]ethyl]ethane-1,2-diamine
CID 138740161
N-(2-phenylethyl)prop-2-en-1-amine;hydrate
CID 174367683
N,N-bis(2-methoxyethyl)-2-phenylethanamine
CID 16753331
N'-[3-(2-phenylethylamino)propyl]propane-1,3-diamine
CID 57144095

Frequently Asked Questions

What is the IUPAC name of N,N',N'-tris(2-phenylethyl)ethane-1,2-diamine;hydrochloride?
The IUPAC name of N,N',N'-tris(2-phenylethyl)ethane-1,2-diamine;hydrochloride (CID 54603767) is N,N',N'-tris(2-phenylethyl)ethane-1,2-diamine;hydrochloride.
What is the SMILES notation for N,N',N'-tris(2-phenylethyl)ethane-1,2-diamine;hydrochloride?
The canonical SMILES for N,N',N'-tris(2-phenylethyl)ethane-1,2-diamine;hydrochloride is Cl.c1ccc(CCNCCN(CCc2ccccc2)CCc2ccccc2)cc1.
What is the InChIKey of N,N',N'-tris(2-phenylethyl)ethane-1,2-diamine;hydrochloride?
The InChIKey is NYEHTCVBSGELAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2.ClH/c1-4-10-24(11-5-1)16-19-27-20-23-28(21-17-25-12-6-2-7-13-25)22-18-26-14-8-3-9-15-26;/h1-15,27H,16-23H2;1H.
What are the key properties of N,N',N'-tris(2-phenylethyl)ethane-1,2-diamine;hydrochloride?
N,N',N'-tris(2-phenylethyl)ethane-1,2-diamine;hydrochloride has a molecular weight of 409.02 g/mol, XLogP of 5.03, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N',N'-tris(2-phenylethyl)ethane-1,2-diamine;hydrochloride is sourced from PubChem (CID 54603767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).