2-N-tert-butylbenzene-1,2-diamine;hydrochloride

C10H17ClN2 — CID 91654382

IUPAC2-N-tert-butylbenzene-1,2-diamine;hydrochloride
SMILESCC(C)(C)Nc1ccccc1N.Cl
InChIInChI=1S/C10H16N2.ClH/c1-10(2,3)12-9-7-5-4-6-8(9)11;/h4-7,12H,11H2,1-3H3;1H
InChIKeyBEUYWTFCVTZYKU-UHFFFAOYSA-N
MW200.71 g/mol
LogP2.90
Rot. Bonds1

About 2-N-tert-butylbenzene-1,2-diamine;hydrochloride

2-N-tert-butylbenzene-1,2-diamine;hydrochloride (PubChem CID 91654382) has the molecular formula C10H17ClN2 and a molecular weight of 200.71 g/mol. Its IUPAC name is 2-N-tert-butylbenzene-1,2-diamine;hydrochloride.

Molecular Properties

Compound Name2-N-tert-butylbenzene-1,2-diamine;hydrochloride
PubChem CID91654382
Molecular FormulaC10H17ClN2
Molecular Weight200.71 g/mol
Exact Mass200.11
IUPAC Name2-N-tert-butylbenzene-1,2-diamine;hydrochloride
SMILESCC(C)(C)Nc1ccccc1N.Cl
InChIInChI=1S/C10H16N2.ClH/c1-10(2,3)12-9-7-5-4-6-8(9)11;/h4-7,12H,11H2,1-3H3;1H
InChIKeyBEUYWTFCVTZYKU-UHFFFAOYSA-N
XLogP2.90
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.71
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(tert-butylamino)phenol
CID 70671108
2-N-[(Z)-4,4-dimethylpent-2-en-3-yl]benzene-1,2-diamine
CID 170283618
1-N,5-N-ditert-butylnaphthalene-1,5-diamine
CID 58895651
ethane;2-N-methylbenzene-1,2-diamine
CID 91146948
1-N-tert-butyl-3-chlorobenzene-1,2-diamine
CID 68721117
2-N-(3,3-dimethylbutan-2-yl)benzene-1,2-diamine
CID 104827391
N-tert-butyl-2-methylsulfanylaniline
CID 121217265
2-(tert-butylamino)benzenecarbothioamide
CID 28600889
2-N-sulfidobenzene-1,2-diamine
CID 171097854
ethane;2-N-propylbenzene-1,2-diamine
CID 91196578
2-N-tert-butyl-3-methylbenzene-1,2-diamine
CID 70363393
ethane;2-hydrazinylaniline;molecular hydrogen
CID 142165021

Frequently Asked Questions

What is the IUPAC name of 2-N-tert-butylbenzene-1,2-diamine;hydrochloride?
The IUPAC name of 2-N-tert-butylbenzene-1,2-diamine;hydrochloride (CID 91654382) is 2-N-tert-butylbenzene-1,2-diamine;hydrochloride.
What is the SMILES notation for 2-N-tert-butylbenzene-1,2-diamine;hydrochloride?
The canonical SMILES for 2-N-tert-butylbenzene-1,2-diamine;hydrochloride is CC(C)(C)Nc1ccccc1N.Cl.
What is the InChIKey of 2-N-tert-butylbenzene-1,2-diamine;hydrochloride?
The InChIKey is BEUYWTFCVTZYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2.ClH/c1-10(2,3)12-9-7-5-4-6-8(9)11;/h4-7,12H,11H2,1-3H3;1H.
What are the key properties of 2-N-tert-butylbenzene-1,2-diamine;hydrochloride?
2-N-tert-butylbenzene-1,2-diamine;hydrochloride has a molecular weight of 200.71 g/mol, XLogP of 2.90, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-tert-butylbenzene-1,2-diamine;hydrochloride is sourced from PubChem (CID 91654382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).