4-(4-amino-3-methylphenyl)-2,6,6-trimethylcyclohexa-1,3-dien-1-amine;hydrochloride

C16H23ClN2 — CID 66725208

IUPAC4-(4-amino-3-methylphenyl)-2,6,6-trimethylcyclohexa-1,3-dien-1-amine;hydrochloride
SMILESCC1=C(N)C(C)(C)CC(c2ccc(N)c(C)c2)=C1.Cl
InChIInChI=1S/C16H22N2.ClH/c1-10-7-12(5-6-14(10)17)13-8-11(2)15(18)16(3,4)9-13;/h5-8H,9,17-18H2,1-4H3;1H
InChIKeyCGQQWMDFYZJOHH-UHFFFAOYSA-N
MW278.83 g/mol
LogP4.05
Rot. Bonds1

About 4-(4-amino-3-methylphenyl)-2,6,6-trimethylcyclohexa-1,3-dien-1-amine;hydrochloride

4-(4-amino-3-methylphenyl)-2,6,6-trimethylcyclohexa-1,3-dien-1-amine;hydrochloride (PubChem CID 66725208) has the molecular formula C16H23ClN2 and a molecular weight of 278.83 g/mol. Its IUPAC name is 4-(4-amino-3-methylphenyl)-2,6,6-trimethylcyclohexa-1,3-dien-1-amine;hydrochloride.

Molecular Properties

Compound Name4-(4-amino-3-methylphenyl)-2,6,6-trimethylcyclohexa-1,3-dien-1-amine;hydrochloride
PubChem CID66725208
Molecular FormulaC16H23ClN2
Molecular Weight278.83 g/mol
Exact Mass278.15
IUPAC Name4-(4-amino-3-methylphenyl)-2,6,6-trimethylcyclohexa-1,3-dien-1-amine;hydrochloride
SMILESCC1=C(N)C(C)(C)CC(c2ccc(N)c(C)c2)=C1.Cl
InChIInChI=1S/C16H22N2.ClH/c1-10-7-12(5-6-14(10)17)13-8-11(2)15(18)16(3,4)9-13;/h5-8H,9,17-18H2,1-4H3;1H
InChIKeyCGQQWMDFYZJOHH-UHFFFAOYSA-N
XLogP4.05
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.83
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3-methylphenyl)-2,6,6-trimethylcyclohexa-1,3-dien-1-amine;hydrochloride?
The IUPAC name of 4-(4-amino-3-methylphenyl)-2,6,6-trimethylcyclohexa-1,3-dien-1-amine;hydrochloride (CID 66725208) is 4-(4-amino-3-methylphenyl)-2,6,6-trimethylcyclohexa-1,3-dien-1-amine;hydrochloride.
What is the SMILES notation for 4-(4-amino-3-methylphenyl)-2,6,6-trimethylcyclohexa-1,3-dien-1-amine;hydrochloride?
The canonical SMILES for 4-(4-amino-3-methylphenyl)-2,6,6-trimethylcyclohexa-1,3-dien-1-amine;hydrochloride is CC1=C(N)C(C)(C)CC(c2ccc(N)c(C)c2)=C1.Cl.
What is the InChIKey of 4-(4-amino-3-methylphenyl)-2,6,6-trimethylcyclohexa-1,3-dien-1-amine;hydrochloride?
The InChIKey is CGQQWMDFYZJOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2.ClH/c1-10-7-12(5-6-14(10)17)13-8-11(2)15(18)16(3,4)9-13;/h5-8H,9,17-18H2,1-4H3;1H.
What are the key properties of 4-(4-amino-3-methylphenyl)-2,6,6-trimethylcyclohexa-1,3-dien-1-amine;hydrochloride?
4-(4-amino-3-methylphenyl)-2,6,6-trimethylcyclohexa-1,3-dien-1-amine;hydrochloride has a molecular weight of 278.83 g/mol, XLogP of 4.05, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3-methylphenyl)-2,6,6-trimethylcyclohexa-1,3-dien-1-amine;hydrochloride is sourced from PubChem (CID 66725208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).