N'-tert-butyl-N-(4-morpholin-4-ylphenyl)ethane-1,2-diamine

C16H27N3O — CID 107444694

IUPACN'-tert-butyl-N-(4-morpholin-4-ylphenyl)ethane-1,2-diamine
SMILESCC(C)(C)NCCNc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C16H27N3O/c1-16(2,3)18-9-8-17-14-4-6-15(7-5-14)19-10-12-20-13-11-19/h4-7,17-18H,8-13H2,1-3H3
InChIKeyUFHICXRVGNPKIT-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.32
Rot. Bonds5

About N'-tert-butyl-N-(4-morpholin-4-ylphenyl)ethane-1,2-diamine

N'-tert-butyl-N-(4-morpholin-4-ylphenyl)ethane-1,2-diamine (PubChem CID 107444694) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N'-tert-butyl-N-(4-morpholin-4-ylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-tert-butyl-N-(4-morpholin-4-ylphenyl)ethane-1,2-diamine
PubChem CID107444694
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN'-tert-butyl-N-(4-morpholin-4-ylphenyl)ethane-1,2-diamine
SMILESCC(C)(C)NCCNc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C16H27N3O/c1-16(2,3)18-9-8-17-14-4-6-15(7-5-14)19-10-12-20-13-11-19/h4-7,17-18H,8-13H2,1-3H3
InChIKeyUFHICXRVGNPKIT-UHFFFAOYSA-N
XLogP2.32
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-tert-butyl-N-(6-morpholin-4-yl-3-pyridinyl)ethane-1,2-diamine
CID 107445126
N-butyl-4-morpholin-4-ylaniline
CID 28675754
N-(2,2-dimethylpropyl)-4-morpholin-4-ylaniline
CID 20785895
N-(3-methylbutyl)-4-morpholin-4-ylaniline
CID 28675688
4-morpholin-4-yl-N-(2-propan-2-yloxyethyl)aniline
CID 55025471
4-morpholin-4-yl-N-(2-pyridin-4-ylethyl)aniline
CID 63180016
methyl 3-(4-morpholin-4-ylanilino)propanoate
CID 63180474
N-(3-ethylsulfonylpropyl)-4-morpholin-4-ylaniline
CID 65093375
4-morpholin-4-yl-N-pent-4-ynylaniline
CID 113374169
N-fluoro-4-morpholin-4-ylaniline
CID 141098997
2-hydroxy-2-methyl-3-(4-morpholin-4-ylanilino)propanoic acid
CID 104644459
1,1,1-trifluoro-3-(4-morpholin-4-ylanilino)propan-2-ol
CID 63899235

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-(4-morpholin-4-ylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-tert-butyl-N-(4-morpholin-4-ylphenyl)ethane-1,2-diamine (CID 107444694) is N'-tert-butyl-N-(4-morpholin-4-ylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-tert-butyl-N-(4-morpholin-4-ylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-tert-butyl-N-(4-morpholin-4-ylphenyl)ethane-1,2-diamine is CC(C)(C)NCCNc1ccc(N2CCOCC2)cc1.
What is the InChIKey of N'-tert-butyl-N-(4-morpholin-4-ylphenyl)ethane-1,2-diamine?
The InChIKey is UFHICXRVGNPKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-16(2,3)18-9-8-17-14-4-6-15(7-5-14)19-10-12-20-13-11-19/h4-7,17-18H,8-13H2,1-3H3.
What are the key properties of N'-tert-butyl-N-(4-morpholin-4-ylphenyl)ethane-1,2-diamine?
N'-tert-butyl-N-(4-morpholin-4-ylphenyl)ethane-1,2-diamine has a molecular weight of 277.41 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-(4-morpholin-4-ylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 107444694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).