2-(1-aminopropan-2-ylamino)-4-methoxybenzonitrile

C11H15N3O — CID 81304985

IUPAC2-(1-aminopropan-2-ylamino)-4-methoxybenzonitrile
SMILESCOc1ccc(C#N)c(NC(C)CN)c1
InChIInChI=1S/C11H15N3O/c1-8(6-12)14-11-5-10(15-2)4-3-9(11)7-13/h3-5,8,14H,6,12H2,1-2H3
InChIKeyMQYLAAPUWSMMHQ-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.33
Rot. Bonds4

About 2-(1-aminopropan-2-ylamino)-4-methoxybenzonitrile

2-(1-aminopropan-2-ylamino)-4-methoxybenzonitrile (PubChem CID 81304985) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-(1-aminopropan-2-ylamino)-4-methoxybenzonitrile.

Molecular Properties

Compound Name2-(1-aminopropan-2-ylamino)-4-methoxybenzonitrile
PubChem CID81304985
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name2-(1-aminopropan-2-ylamino)-4-methoxybenzonitrile
SMILESCOc1ccc(C#N)c(NC(C)CN)c1
InChIInChI=1S/C11H15N3O/c1-8(6-12)14-11-5-10(15-2)4-3-9(11)7-13/h3-5,8,14H,6,12H2,1-2H3
InChIKeyMQYLAAPUWSMMHQ-UHFFFAOYSA-N
XLogP1.33
TPSA71.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-hydroxypropan-2-ylamino)-4-methoxybenzonitrile
CID 81305599
2-[1-(4-cyanophenyl)ethylamino]-4-methoxybenzonitrile
CID 81300170
2-(ethylamino)-4-methoxybenzonitrile
CID 14388672
2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-4-methoxybenzonitrile
CID 106158985
2-N-[4-methoxy-2-(trifluoromethyl)phenyl]propane-1,2-diamine
CID 103388027
4-methoxy-2-[[2-methyl-3-(methylamino)propyl]amino]benzonitrile
CID 113282602
2-[[4-(aminomethyl)phenyl]methylamino]-4-methoxybenzonitrile
CID 81304530
2-(aminomethyl)-4-methoxybenzonitrile
CID 22464511
2-[(3-amino-2,2-difluoropropyl)amino]-4-methoxybenzonitrile
CID 114384341
2-[(4-hydroxy-2-methylbutyl)amino]-4-methoxybenzonitrile
CID 81306634
2-(2,2-dimethylhydrazinyl)-4-methoxybenzonitrile
CID 83016723
4-methoxy-2-(2-methoxyethylamino)benzonitrile
CID 81298922

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopropan-2-ylamino)-4-methoxybenzonitrile?
The IUPAC name of 2-(1-aminopropan-2-ylamino)-4-methoxybenzonitrile (CID 81304985) is 2-(1-aminopropan-2-ylamino)-4-methoxybenzonitrile.
What is the SMILES notation for 2-(1-aminopropan-2-ylamino)-4-methoxybenzonitrile?
The canonical SMILES for 2-(1-aminopropan-2-ylamino)-4-methoxybenzonitrile is COc1ccc(C#N)c(NC(C)CN)c1.
What is the InChIKey of 2-(1-aminopropan-2-ylamino)-4-methoxybenzonitrile?
The InChIKey is MQYLAAPUWSMMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-8(6-12)14-11-5-10(15-2)4-3-9(11)7-13/h3-5,8,14H,6,12H2,1-2H3.
What are the key properties of 2-(1-aminopropan-2-ylamino)-4-methoxybenzonitrile?
2-(1-aminopropan-2-ylamino)-4-methoxybenzonitrile has a molecular weight of 205.26 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropan-2-ylamino)-4-methoxybenzonitrile is sourced from PubChem (CID 81304985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).