2-amino-1-methoxy-5-phenylcyclohexa-2,4-diene-1-carbonitrile

C14H14N2O — CID 174744766

IUPAC2-amino-1-methoxy-5-phenylcyclohexa-2,4-diene-1-carbonitrile
SMILESCOC1(C#N)CC(c2ccccc2)=CC=C1N
InChIInChI=1S/C14H14N2O/c1-17-14(10-15)9-12(7-8-13(14)16)11-5-3-2-4-6-11/h2-8H,9,16H2,1H3
InChIKeyGKNXDWUCXCPHGV-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.23
Rot. Bonds2

About 2-amino-1-methoxy-5-phenylcyclohexa-2,4-diene-1-carbonitrile

2-amino-1-methoxy-5-phenylcyclohexa-2,4-diene-1-carbonitrile (PubChem CID 174744766) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-amino-1-methoxy-5-phenylcyclohexa-2,4-diene-1-carbonitrile.

Molecular Properties

Compound Name2-amino-1-methoxy-5-phenylcyclohexa-2,4-diene-1-carbonitrile
PubChem CID174744766
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name2-amino-1-methoxy-5-phenylcyclohexa-2,4-diene-1-carbonitrile
SMILESCOC1(C#N)CC(c2ccccc2)=CC=C1N
InChIInChI=1S/C14H14N2O/c1-17-14(10-15)9-12(7-8-13(14)16)11-5-3-2-4-6-11/h2-8H,9,16H2,1H3
InChIKeyGKNXDWUCXCPHGV-UHFFFAOYSA-N
XLogP2.23
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Fluoro-5-methoxy-4-phenylcyclohexa-1,3-dien-1-amine
CID 69130717
2,6-Difluoro-6-methoxy-4-phenylcyclohexa-1,3-dien-1-amine
CID 172849947
2-Fluoro-1-methoxy-5-phenylcyclohexa-2,4-diene-1-carbonitrile
CID 174644300
6-Fluoro-4-phenyl-6-propoxycyclohexa-1,3-dien-1-amine
CID 174743511
2-[Amino(2-cyano-3-phenyloxiran-2-yl)methylidene]malononitrile
CID 91697460
[6-Methoxy-4-(2-phenylpropyl)cyclohexa-1,3-dien-1-yl]azanium
CID 163660482
6-Amino-6-methoxy-2-phenylcyclohexa-2,4-diene-1-carbonitrile
CID 175052767
2-Amino-1-methyl-5-phenylcyclohexa-2,4-dien-1-ol
CID 175328699
3-Methoxy-[1,1-biphenyl]-3-carbonitrile
CID 150965126
6-Methoxy-4-(2-phenylpropyl)cyclohexa-1,3-dien-1-amine
CID 163660483

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-methoxy-5-phenylcyclohexa-2,4-diene-1-carbonitrile?
The IUPAC name of 2-amino-1-methoxy-5-phenylcyclohexa-2,4-diene-1-carbonitrile (CID 174744766) is 2-amino-1-methoxy-5-phenylcyclohexa-2,4-diene-1-carbonitrile.
What is the SMILES notation for 2-amino-1-methoxy-5-phenylcyclohexa-2,4-diene-1-carbonitrile?
The canonical SMILES for 2-amino-1-methoxy-5-phenylcyclohexa-2,4-diene-1-carbonitrile is COC1(C#N)CC(c2ccccc2)=CC=C1N.
What is the InChIKey of 2-amino-1-methoxy-5-phenylcyclohexa-2,4-diene-1-carbonitrile?
The InChIKey is GKNXDWUCXCPHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-17-14(10-15)9-12(7-8-13(14)16)11-5-3-2-4-6-11/h2-8H,9,16H2,1H3.
What are the key properties of 2-amino-1-methoxy-5-phenylcyclohexa-2,4-diene-1-carbonitrile?
2-amino-1-methoxy-5-phenylcyclohexa-2,4-diene-1-carbonitrile has a molecular weight of 226.28 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-methoxy-5-phenylcyclohexa-2,4-diene-1-carbonitrile is sourced from PubChem (CID 174744766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).