N-(4-tert-butylphenyl)-N-methyl-6-propan-2-yldibenzofuran-4-amine

C26H29NO — CID 138652817

IUPACN-(4-tert-butylphenyl)-N-methyl-6-propan-2-yldibenzofuran-4-amine
SMILESCC(C)c1cccc2c1oc1c(N(C)c3ccc(C(C)(C)C)cc3)cccc12
InChIInChI=1S/C26H29NO/c1-17(2)20-9-7-10-21-22-11-8-12-23(25(22)28-24(20)21)27(6)19-15-13-18(14-16-19)26(3,4)5/h7-17H,1-6H3
InChIKeyPCQPUKBTZZKAKS-UHFFFAOYSA-N
MW371.52 g/mol
LogP7.77
Rot. Bonds3

About N-(4-tert-butylphenyl)-N-methyl-6-propan-2-yldibenzofuran-4-amine

N-(4-tert-butylphenyl)-N-methyl-6-propan-2-yldibenzofuran-4-amine (PubChem CID 138652817) has the molecular formula C26H29NO and a molecular weight of 371.52 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-N-methyl-6-propan-2-yldibenzofuran-4-amine.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-N-methyl-6-propan-2-yldibenzofuran-4-amine
PubChem CID138652817
Molecular FormulaC26H29NO
Molecular Weight371.52 g/mol
Exact Mass371.22
IUPAC NameN-(4-tert-butylphenyl)-N-methyl-6-propan-2-yldibenzofuran-4-amine
SMILESCC(C)c1cccc2c1oc1c(N(C)c3ccc(C(C)(C)C)cc3)cccc12
InChIInChI=1S/C26H29NO/c1-17(2)20-9-7-10-21-22-11-8-12-23(25(22)28-24(20)21)27(6)19-15-13-18(14-16-19)26(3,4)5/h7-17H,1-6H3
InChIKeyPCQPUKBTZZKAKS-UHFFFAOYSA-N
XLogP7.77
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.52
LogP ≤ 57.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(4-tert-butylphenyl)-N-methyl-6-propan-2-yldibenzofuran-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N-(4-methylphenyl)-6-propan-2-yldibenzofuran-4-amine
CID 138456794
6-tert-butyl-N-methyl-N-(2-propan-2-ylphenyl)dibenzofuran-4-amine
CID 134527978
6-tert-butyl-N-methyl-N-[4-(trifluoromethyl)phenyl]dibenzofuran-4-amine
CID 138651769
N-(2-ethylphenyl)-N-methyl-6-propan-2-yldibenzofuran-4-amine
CID 138651496
N-methyl-6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]dibenzofuran-4-amine
CID 138651778
N-iodo-6-propan-2-yl-N-(2-propan-2-ylphenyl)dibenzofuran-4-amine
CID 137416612
6-cyclohexyl-N-methyl-N-(2-propan-2-ylphenyl)dibenzofuran-4-amine
CID 134527995
8-(4-tert-butylphenyl)-N,N-bis(9,9-dimethylfluoren-2-yl)-6-propan-2-yldibenzofuran-4-amine
CID 174314035
11-tert-butyl-5-N,18-N-diphenyl-5-N,18-N-bis(6-propan-2-yldibenzofuran-4-yl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9(14),10,12,15,17,19,21-undecaene-5,18-diamine
CID 139573351
7-tert-butyl-N-[5-tert-butyl-2-(6-propan-2-yldibenzofuran-4-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 174315841
N,N-bis(9,9-dimethylfluoren-2-yl)-6-propan-2-yldibenzofuran-4-amine
CID 149287713
N-tert-butyl-N-(4-tert-butylphenyl)dibenzofuran-4-amine
CID 162698599

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-N-methyl-6-propan-2-yldibenzofuran-4-amine?
The IUPAC name of N-(4-tert-butylphenyl)-N-methyl-6-propan-2-yldibenzofuran-4-amine (CID 138652817) is N-(4-tert-butylphenyl)-N-methyl-6-propan-2-yldibenzofuran-4-amine.
What is the SMILES notation for N-(4-tert-butylphenyl)-N-methyl-6-propan-2-yldibenzofuran-4-amine?
The canonical SMILES for N-(4-tert-butylphenyl)-N-methyl-6-propan-2-yldibenzofuran-4-amine is CC(C)c1cccc2c1oc1c(N(C)c3ccc(C(C)(C)C)cc3)cccc12.
What is the InChIKey of N-(4-tert-butylphenyl)-N-methyl-6-propan-2-yldibenzofuran-4-amine?
The InChIKey is PCQPUKBTZZKAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO/c1-17(2)20-9-7-10-21-22-11-8-12-23(25(22)28-24(20)21)27(6)19-15-13-18(14-16-19)26(3,4)5/h7-17H,1-6H3.
What are the key properties of N-(4-tert-butylphenyl)-N-methyl-6-propan-2-yldibenzofuran-4-amine?
N-(4-tert-butylphenyl)-N-methyl-6-propan-2-yldibenzofuran-4-amine has a molecular weight of 371.52 g/mol, XLogP of 7.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-N-methyl-6-propan-2-yldibenzofuran-4-amine is sourced from PubChem (CID 138652817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).