(1R)-1-(2-amino-5-tert-butylphenyl)ethane-1,2-diamine

C12H21N3 — CID 66517150

IUPAC(1R)-1-(2-amino-5-tert-butylphenyl)ethane-1,2-diamine
SMILESCC(C)(C)c1ccc(N)c([C@@H](N)CN)c1
InChIInChI=1S/C12H21N3/c1-12(2,3)8-4-5-10(14)9(6-8)11(15)7-13/h4-6,11H,7,13-15H2,1-3H3/t11-/m0/s1
InChIKeyLFAVRJVGLAGCQT-NSHDSACASA-N
MW207.32 g/mol
LogP1.52
Rot. Bonds2

About (1R)-1-(2-amino-5-tert-butylphenyl)ethane-1,2-diamine

(1R)-1-(2-amino-5-tert-butylphenyl)ethane-1,2-diamine (PubChem CID 66517150) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is (1R)-1-(2-amino-5-tert-butylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name(1R)-1-(2-amino-5-tert-butylphenyl)ethane-1,2-diamine
PubChem CID66517150
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name(1R)-1-(2-amino-5-tert-butylphenyl)ethane-1,2-diamine
SMILESCC(C)(C)c1ccc(N)c([C@@H](N)CN)c1
InChIInChI=1S/C12H21N3/c1-12(2,3)8-4-5-10(14)9(6-8)11(15)7-13/h4-6,11H,7,13-15H2,1-3H3/t11-/m0/s1
InChIKeyLFAVRJVGLAGCQT-NSHDSACASA-N
XLogP1.52
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(1S)-1-aminoethyl]-4-tert-butylaniline
CID 130769790
4-amino-3-(1,2-diaminoethyl)phenol
CID 55283127
1-(5-tert-butyl-2-phenylmethoxyphenyl)ethane-1,2-diamine
CID 170894728
4-amino-3-[(1R)-1,2-diaminoethyl]benzonitrile
CID 66516129
1-[2-methyl-5-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 66517614
2-[(1S)-1-amino-2-hydroxyethyl]-4-tert-butylphenol
CID 66514668
(2R)-2-amino-2-(5-tert-butyl-2-chlorophenyl)ethanol
CID 66515156
2-(2-amino-5-tert-butylphenyl)-3,4-dimethylpentanoic acid
CID 106987557
1-[2-(4-tert-butylphenoxy)phenyl]ethane-1,2-diamine
CID 170894598
1-(2-amino-5-tert-butylphenyl)-3-azidopropane-1,2-diol
CID 170826678
ethyl 4-(2-amino-5-tert-butylphenyl)-3,4-dihydroxybutanoate
CID 171898039
4-tert-butyl-2-fluoroaniline
CID 10464690

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-amino-5-tert-butylphenyl)ethane-1,2-diamine?
The IUPAC name of (1R)-1-(2-amino-5-tert-butylphenyl)ethane-1,2-diamine (CID 66517150) is (1R)-1-(2-amino-5-tert-butylphenyl)ethane-1,2-diamine.
What is the SMILES notation for (1R)-1-(2-amino-5-tert-butylphenyl)ethane-1,2-diamine?
The canonical SMILES for (1R)-1-(2-amino-5-tert-butylphenyl)ethane-1,2-diamine is CC(C)(C)c1ccc(N)c([C@@H](N)CN)c1.
What is the InChIKey of (1R)-1-(2-amino-5-tert-butylphenyl)ethane-1,2-diamine?
The InChIKey is LFAVRJVGLAGCQT-NSHDSACASA-N. The full InChI is InChI=1S/C12H21N3/c1-12(2,3)8-4-5-10(14)9(6-8)11(15)7-13/h4-6,11H,7,13-15H2,1-3H3/t11-/m0/s1.
What are the key properties of (1R)-1-(2-amino-5-tert-butylphenyl)ethane-1,2-diamine?
(1R)-1-(2-amino-5-tert-butylphenyl)ethane-1,2-diamine has a molecular weight of 207.32 g/mol, XLogP of 1.52, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-amino-5-tert-butylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 66517150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).