2-[(4-tert-butylphenyl)methyl]-1,3-dihydroisoindol-4-amine

C19H24N2 — CID 43370254

IUPAC2-[(4-tert-butylphenyl)methyl]-1,3-dihydroisoindol-4-amine
SMILESCC(C)(C)c1ccc(CN2Cc3cccc(N)c3C2)cc1
InChIInChI=1S/C19H24N2/c1-19(2,3)16-9-7-14(8-10-16)11-21-12-15-5-4-6-18(20)17(15)13-21/h4-10H,11-13,20H2,1-3H3
InChIKeyYBUYXZUNYROJKB-UHFFFAOYSA-N
MW280.42 g/mol
LogP4.08
Rot. Bonds2

About 2-[(4-tert-butylphenyl)methyl]-1,3-dihydroisoindol-4-amine

2-[(4-tert-butylphenyl)methyl]-1,3-dihydroisoindol-4-amine (PubChem CID 43370254) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 2-[(4-tert-butylphenyl)methyl]-1,3-dihydroisoindol-4-amine.

Molecular Properties

Compound Name2-[(4-tert-butylphenyl)methyl]-1,3-dihydroisoindol-4-amine
PubChem CID43370254
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Name2-[(4-tert-butylphenyl)methyl]-1,3-dihydroisoindol-4-amine
SMILESCC(C)(C)c1ccc(CN2Cc3cccc(N)c3C2)cc1
InChIInChI=1S/C19H24N2/c1-19(2,3)16-9-7-14(8-10-16)11-21-12-15-5-4-6-18(20)17(15)13-21/h4-10H,11-13,20H2,1-3H3
InChIKeyYBUYXZUNYROJKB-UHFFFAOYSA-N
XLogP4.08
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(3,5-difluorophenyl)methyl]-1,3-dihydroisoindol-4-amine
CID 105404497
2-[(3-fluorophenyl)methyl]-1,3-dihydroisoindol-4-amine
CID 43370224
2-[(3-methoxyphenyl)methyl]-1,3-dihydroisoindol-4-amine
CID 43370268
2-[(4-tert-butylphenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 118072735
2-(naphthalen-1-ylmethyl)-1,3-dihydroisoindol-4-amine
CID 43175805
2-[(2-methoxyphenyl)methyl]-1,3-dihydroisoindol-4-amine
CID 43370116
2-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522644
2-[(3-chloro-4-methylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 106817889
2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-dihydroisoindole
CID 141472105
2-nonyl-1,3-dihydroisoindol-4-amine
CID 43370262
2-(3-phenylpropyl)-1,3-dihydroisoindol-4-amine
CID 43370258
2-heptyl-1,3-dihydroisoindol-4-amine
CID 43370261

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylphenyl)methyl]-1,3-dihydroisoindol-4-amine?
The IUPAC name of 2-[(4-tert-butylphenyl)methyl]-1,3-dihydroisoindol-4-amine (CID 43370254) is 2-[(4-tert-butylphenyl)methyl]-1,3-dihydroisoindol-4-amine.
What is the SMILES notation for 2-[(4-tert-butylphenyl)methyl]-1,3-dihydroisoindol-4-amine?
The canonical SMILES for 2-[(4-tert-butylphenyl)methyl]-1,3-dihydroisoindol-4-amine is CC(C)(C)c1ccc(CN2Cc3cccc(N)c3C2)cc1.
What is the InChIKey of 2-[(4-tert-butylphenyl)methyl]-1,3-dihydroisoindol-4-amine?
The InChIKey is YBUYXZUNYROJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c1-19(2,3)16-9-7-14(8-10-16)11-21-12-15-5-4-6-18(20)17(15)13-21/h4-10H,11-13,20H2,1-3H3.
What are the key properties of 2-[(4-tert-butylphenyl)methyl]-1,3-dihydroisoindol-4-amine?
2-[(4-tert-butylphenyl)methyl]-1,3-dihydroisoindol-4-amine has a molecular weight of 280.42 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylphenyl)methyl]-1,3-dihydroisoindol-4-amine is sourced from PubChem (CID 43370254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).