1-morpholin-2-yl-4-phenylcyclohexa-2,4-dien-1-amine

C16H20N2O — CID 174711228

IUPAC1-morpholin-2-yl-4-phenylcyclohexa-2,4-dien-1-amine
SMILESNC1(C2CNCCO2)C=CC(c2ccccc2)=CC1
InChIInChI=1S/C16H20N2O/c17-16(15-12-18-10-11-19-15)8-6-14(7-9-16)13-4-2-1-3-5-13/h1-8,15,18H,9-12,17H2
InChIKeyABQKMEVEAFFLOT-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.72
Rot. Bonds2

About 1-morpholin-2-yl-4-phenylcyclohexa-2,4-dien-1-amine

1-morpholin-2-yl-4-phenylcyclohexa-2,4-dien-1-amine (PubChem CID 174711228) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-morpholin-2-yl-4-phenylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name1-morpholin-2-yl-4-phenylcyclohexa-2,4-dien-1-amine
PubChem CID174711228
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-morpholin-2-yl-4-phenylcyclohexa-2,4-dien-1-amine
SMILESNC1(C2CNCCO2)C=CC(c2ccccc2)=CC1
InChIInChI=1S/C16H20N2O/c17-16(15-12-18-10-11-19-15)8-6-14(7-9-16)13-4-2-1-3-5-13/h1-8,15,18H,9-12,17H2
InChIKeyABQKMEVEAFFLOT-UHFFFAOYSA-N
XLogP1.72
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-2-yl-4-phenylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 1-morpholin-2-yl-4-phenylcyclohexa-2,4-dien-1-amine (CID 174711228) is 1-morpholin-2-yl-4-phenylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 1-morpholin-2-yl-4-phenylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 1-morpholin-2-yl-4-phenylcyclohexa-2,4-dien-1-amine is NC1(C2CNCCO2)C=CC(c2ccccc2)=CC1.
What is the InChIKey of 1-morpholin-2-yl-4-phenylcyclohexa-2,4-dien-1-amine?
The InChIKey is ABQKMEVEAFFLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c17-16(15-12-18-10-11-19-15)8-6-14(7-9-16)13-4-2-1-3-5-13/h1-8,15,18H,9-12,17H2.
What are the key properties of 1-morpholin-2-yl-4-phenylcyclohexa-2,4-dien-1-amine?
1-morpholin-2-yl-4-phenylcyclohexa-2,4-dien-1-amine has a molecular weight of 256.35 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-2-yl-4-phenylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 174711228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).