N'-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diamine

C12H20N2O — CID 96671315

IUPACN'-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diamine
SMILESCC(C)(C)Oc1ccc(NCCN)cc1
InChIInChI=1S/C12H20N2O/c1-12(2,3)15-11-6-4-10(5-7-11)14-9-8-13/h4-7,14H,8-9,13H2,1-3H3
InChIKeyVSAOXJHYJNBVAL-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.23
Rot. Bonds4

About N'-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diamine

N'-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diamine (PubChem CID 96671315) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is N'-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diamine
PubChem CID96671315
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC NameN'-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diamine
SMILESCC(C)(C)Oc1ccc(NCCN)cc1
InChIInChI=1S/C12H20N2O/c1-12(2,3)15-11-6-4-10(5-7-11)14-9-8-13/h4-7,14H,8-9,13H2,1-3H3
InChIKeyVSAOXJHYJNBVAL-UHFFFAOYSA-N
XLogP2.23
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N',N'-dimethyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diamine
CID 98784045
ethyl 2-[4-[(2-methylpropan-2-yl)oxy]anilino]acetate
CID 170102656
ethane;N'-phenylethane-1,2-diamine
CID 91048519
4-(2-aminoethylamino)phenol
CID 15538569
3,4-difluoro-N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]aniline
CID 82538570
N'-(4-methylsulfanylphenyl)ethane-1,2-diamine
CID 15686149
4-methoxy-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]aniline
CID 82535713
N,N-dimethyl-2-[4-[(2-methylpropan-2-yl)oxy]anilino]acetamide
CID 71997880
N'-(4-phenylphenyl)ethane-1,2-diamine
CID 15319687
N'-tert-butyl-N-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 107444522
3-(methylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide
CID 98784394
tetrakis[4-[(2-methylpropan-2-yl)oxy]phenyl]boranuide
CID 140853647

Frequently Asked Questions

What is the IUPAC name of N'-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diamine?
The IUPAC name of N'-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diamine (CID 96671315) is N'-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diamine?
The canonical SMILES for N'-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diamine is CC(C)(C)Oc1ccc(NCCN)cc1.
What is the InChIKey of N'-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diamine?
The InChIKey is VSAOXJHYJNBVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-12(2,3)15-11-6-4-10(5-7-11)14-9-8-13/h4-7,14H,8-9,13H2,1-3H3.
What are the key properties of N'-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diamine?
N'-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diamine has a molecular weight of 208.30 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diamine is sourced from PubChem (CID 96671315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).