bis(3-tert-butylphenyl)methanediamine

C21H30N2 — CID 141292033

IUPACbis(3-tert-butylphenyl)methanediamine
SMILESCC(C)(C)c1cccc(C(N)(N)c2cccc(C(C)(C)C)c2)c1
InChIInChI=1S/C21H30N2/c1-19(2,3)15-9-7-11-17(13-15)21(22,23)18-12-8-10-16(14-18)20(4,5)6/h7-14H,22-23H2,1-6H3
InChIKeyMGBFZUKIAJRIMN-UHFFFAOYSA-N
MW310.49 g/mol
LogP4.40
Rot. Bonds2

About bis(3-tert-butylphenyl)methanediamine

bis(3-tert-butylphenyl)methanediamine (PubChem CID 141292033) has the molecular formula C21H30N2 and a molecular weight of 310.49 g/mol. Its IUPAC name is bis(3-tert-butylphenyl)methanediamine.

Molecular Properties

Compound Namebis(3-tert-butylphenyl)methanediamine
PubChem CID141292033
Molecular FormulaC21H30N2
Molecular Weight310.49 g/mol
Exact Mass310.24
IUPAC Namebis(3-tert-butylphenyl)methanediamine
SMILESCC(C)(C)c1cccc(C(N)(N)c2cccc(C(C)(C)C)c2)c1
InChIInChI=1S/C21H30N2/c1-19(2,3)15-9-7-11-17(13-15)21(22,23)18-12-8-10-16(14-18)20(4,5)6/h7-14H,22-23H2,1-6H3
InChIKeyMGBFZUKIAJRIMN-UHFFFAOYSA-N
XLogP4.40
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.49
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-Phenylcyclohexylamine
CID 31862
Cyclohexanamine, 1-phenyl-, hydrochloride (1:1)
CID 200391
Tritylamine
CID 138598
1-(3-Methylphenyl)cyclohexan-1-amine hydrochloride
CID 45259751
[3-(3-Methylphenyl)phenyl]methanamine
CID 1392314
1-{3'-Methyl-[1,1'-biphenyl]-4-yl}methanamine
CID 1393977
1-(3-Methylphenyl)cyclohexanamine
CID 36133764
3-(Aminomethyl)biphenyl
CID 2760368
(2S)-1,2-diphenylpropan-2-amine
CID 12321786
trans-(1R,3S)-3-methyl-1-phenylcyclohexan-1-amine
CID 44282522
[2-(3,5-Dimethylphenyl)-5-(2-methyloctan-2-yl)phenyl]methanamine
CID 44432000
trans-(1R,3S)-3-methyl-1-phenylcyclohexan-1-amine;hydrochloride
CID 45259753

Frequently Asked Questions

What is the IUPAC name of bis(3-tert-butylphenyl)methanediamine?
The IUPAC name of bis(3-tert-butylphenyl)methanediamine (CID 141292033) is bis(3-tert-butylphenyl)methanediamine.
What is the SMILES notation for bis(3-tert-butylphenyl)methanediamine?
The canonical SMILES for bis(3-tert-butylphenyl)methanediamine is CC(C)(C)c1cccc(C(N)(N)c2cccc(C(C)(C)C)c2)c1.
What is the InChIKey of bis(3-tert-butylphenyl)methanediamine?
The InChIKey is MGBFZUKIAJRIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2/c1-19(2,3)15-9-7-11-17(13-15)21(22,23)18-12-8-10-16(14-18)20(4,5)6/h7-14H,22-23H2,1-6H3.
What are the key properties of bis(3-tert-butylphenyl)methanediamine?
bis(3-tert-butylphenyl)methanediamine has a molecular weight of 310.49 g/mol, XLogP of 4.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-tert-butylphenyl)methanediamine is sourced from PubChem (CID 141292033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).