N'-[2-[(4-tert-butylphenyl)-phenylmethoxy]ethyl]ethane-1,2-diamine

C21H30N2O — CID 171986728

IUPACN'-[2-[(4-tert-butylphenyl)-phenylmethoxy]ethyl]ethane-1,2-diamine
SMILESCC(C)(C)c1ccc(C(OCCNCCN)c2ccccc2)cc1
InChIInChI=1S/C21H30N2O/c1-21(2,3)19-11-9-18(10-12-19)20(17-7-5-4-6-8-17)24-16-15-23-14-13-22/h4-12,20,23H,13-16,22H2,1-3H3
InChIKeyUGVBFBZJXXFYAF-UHFFFAOYSA-N
MW326.48 g/mol
LogP3.64
Rot. Bonds8

About N'-[2-[(4-tert-butylphenyl)-phenylmethoxy]ethyl]ethane-1,2-diamine

N'-[2-[(4-tert-butylphenyl)-phenylmethoxy]ethyl]ethane-1,2-diamine (PubChem CID 171986728) has the molecular formula C21H30N2O and a molecular weight of 326.48 g/mol. Its IUPAC name is N'-[2-[(4-tert-butylphenyl)-phenylmethoxy]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-[(4-tert-butylphenyl)-phenylmethoxy]ethyl]ethane-1,2-diamine
PubChem CID171986728
Molecular FormulaC21H30N2O
Molecular Weight326.48 g/mol
Exact Mass326.24
IUPAC NameN'-[2-[(4-tert-butylphenyl)-phenylmethoxy]ethyl]ethane-1,2-diamine
SMILESCC(C)(C)c1ccc(C(OCCNCCN)c2ccccc2)cc1
InChIInChI=1S/C21H30N2O/c1-21(2,3)19-11-9-18(10-12-19)20(17-7-5-4-6-8-17)24-16-15-23-14-13-22/h4-12,20,23H,13-16,22H2,1-3H3
InChIKeyUGVBFBZJXXFYAF-UHFFFAOYSA-N
XLogP3.64
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-[2-[(4-tert-butylphenyl)-phenylmethoxy]ethyl]ethane-1,2-diamine 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

N'-(2-benzhydryloxyethyl)ethane-1,2-diamine
CID 57024547
1-N-(2-benzhydryloxyethyl)pentane-1,4-diamine
CID 57070167
3-(4-methylphenyl)-N-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]propan-1-amine
CID 121338178
(2R)-1-(2-benzhydryloxyethylamino)propan-2-ol
CID 97355382
N-(3-benzhydryloxypropyl)-3-phenylpropan-1-amine
CID 86174020
N'-[2-[bis(4-fluorophenyl)methoxy]ethyl]-N-(2-phenylethyl)propane-1,3-diamine
CID 10788465
N-(2-benzhydryloxyethyl)-2-phenoxyethanamine;oxalic acid
CID 155529314
N'-[2-(4-tert-butylphenyl)ethyl]ethane-1,2-diamine
CID 115195374
3-benzhydryloxy-N-propan-2-ylpropan-1-amine
CID 163865412
3,3-dimethyl-N-[2-(1-phenylethoxy)ethyl]butan-1-amine
CID 62567303
[2-[2-[2-(2-benzhydryloxyethylamino)ethylsulfanylsulfonyloxy]ethylamino]ethoxy-phenylmethyl]benzene
CID 21128167
3-(2-benzhydryloxyethylamino)-1-(3,4-dimethylphenyl)propan-1-one
CID 110177605

Frequently Asked Questions

What is the IUPAC name of N'-[2-[(4-tert-butylphenyl)-phenylmethoxy]ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-[(4-tert-butylphenyl)-phenylmethoxy]ethyl]ethane-1,2-diamine (CID 171986728) is N'-[2-[(4-tert-butylphenyl)-phenylmethoxy]ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-[(4-tert-butylphenyl)-phenylmethoxy]ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-[(4-tert-butylphenyl)-phenylmethoxy]ethyl]ethane-1,2-diamine is CC(C)(C)c1ccc(C(OCCNCCN)c2ccccc2)cc1.
What is the InChIKey of N'-[2-[(4-tert-butylphenyl)-phenylmethoxy]ethyl]ethane-1,2-diamine?
The InChIKey is UGVBFBZJXXFYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O/c1-21(2,3)19-11-9-18(10-12-19)20(17-7-5-4-6-8-17)24-16-15-23-14-13-22/h4-12,20,23H,13-16,22H2,1-3H3.
What are the key properties of N'-[2-[(4-tert-butylphenyl)-phenylmethoxy]ethyl]ethane-1,2-diamine?
N'-[2-[(4-tert-butylphenyl)-phenylmethoxy]ethyl]ethane-1,2-diamine has a molecular weight of 326.48 g/mol, XLogP of 3.64, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(4-tert-butylphenyl)-phenylmethoxy]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 171986728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).