3-(4-propan-2-ylphenyl)iminoisoindol-1-amine

C17H17N3 — CID 2312941

IUPAC3-(4-propan-2-ylphenyl)iminoisoindol-1-amine
SMILESCC(C)c1ccc(/N=C2\N=C(N)c3ccccc32)cc1
InChIInChI=1S/C17H17N3/c1-11(2)12-7-9-13(10-8-12)19-17-15-6-4-3-5-14(15)16(18)20-17/h3-11H,1-2H3,(H2,18,19,20)
InChIKeyWMFATYUZVIJFRF-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.61
Rot. Bonds2

About 3-(4-propan-2-ylphenyl)iminoisoindol-1-amine

3-(4-propan-2-ylphenyl)iminoisoindol-1-amine (PubChem CID 2312941) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-(4-propan-2-ylphenyl)iminoisoindol-1-amine.

Molecular Properties

Compound Name3-(4-propan-2-ylphenyl)iminoisoindol-1-amine
PubChem CID2312941
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name3-(4-propan-2-ylphenyl)iminoisoindol-1-amine
SMILESCC(C)c1ccc(/N=C2\N=C(N)c3ccccc32)cc1
InChIInChI=1S/C17H17N3/c1-11(2)12-7-9-13(10-8-12)19-17-15-6-4-3-5-14(15)16(18)20-17/h3-11H,1-2H3,(H2,18,19,20)
InChIKeyWMFATYUZVIJFRF-UHFFFAOYSA-N
XLogP3.61
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-Phenylbenzamidine
CID 200127
Guanidine, 4,4'-methylenediphenyldi-
CID 24484
2-[7-(diaminomethylideneamino)-9H-fluoren-2-yl]guanidine
CID 11245125
Benzamidine, N-phenyl-, monohydrochloride
CID 200126
N'-[7-[[amino(phenyl)methylidene]amino]-9H-fluoren-2-yl]benzenecarboximidamide
CID 11452406
4,4'-Diguanidinobiphenyl
CID 227282
4-methyl-N-phenylbenzenecarboximidamide
CID 341821
3-Phenyliminoisoindol-1-amine
CID 705539
2-[4-[2-[4-(Diaminomethylideneamino)phenyl]ethyl]phenyl]guanidine
CID 24799808
2-[4-[2-[4-(Diaminomethylideneamino)phenyl]ethyl]phenyl]guanidine;hydrochloride
CID 44531603
Benzo[cd]indol-2-amine
CID 2301724
4-(1H-Inden-1-ylmethyl)-phenylamine
CID 44401550

Frequently Asked Questions

What is the IUPAC name of 3-(4-propan-2-ylphenyl)iminoisoindol-1-amine?
The IUPAC name of 3-(4-propan-2-ylphenyl)iminoisoindol-1-amine (CID 2312941) is 3-(4-propan-2-ylphenyl)iminoisoindol-1-amine.
What is the SMILES notation for 3-(4-propan-2-ylphenyl)iminoisoindol-1-amine?
The canonical SMILES for 3-(4-propan-2-ylphenyl)iminoisoindol-1-amine is CC(C)c1ccc(/N=C2\N=C(N)c3ccccc32)cc1.
What is the InChIKey of 3-(4-propan-2-ylphenyl)iminoisoindol-1-amine?
The InChIKey is WMFATYUZVIJFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-11(2)12-7-9-13(10-8-12)19-17-15-6-4-3-5-14(15)16(18)20-17/h3-11H,1-2H3,(H2,18,19,20).
What are the key properties of 3-(4-propan-2-ylphenyl)iminoisoindol-1-amine?
3-(4-propan-2-ylphenyl)iminoisoindol-1-amine has a molecular weight of 263.34 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propan-2-ylphenyl)iminoisoindol-1-amine is sourced from PubChem (CID 2312941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).