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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Related Compounds

4-[4-amino-4-(azetidin-3-yl)cyclohexa-1,5-dien-1-yl]aniline
CID 162087611
CID 172735714
CID 172735714
palladium;4-phenylcyclohexa-2,4-diene-1,1-dicarboxylic acid
CID 174927454
5-bromo-5-tert-butyl-2-phenylcyclohexa-1,3-diene
CID 170991905
4-[1-(4-aminophenoxy)-4-phenylcyclohexa-2,4-dien-1-yl]oxyaniline
CID 66911320
4-[1-(4-aminophenyl)-4-phenylcyclohexa-2,4-dien-1-yl]aniline
CID 70010989
azane;2-phenylmorpholine
CID 174664757
2-morpholin-2-yl-5-phenylaniline
CID 175280978
1-ethenyl-4-phenylcyclohexa-2,4-dien-1-ol
CID 174438236
2-(benzenesulfonyl)morpholine
CID 19848023
5-fluoro-5-methoxy-2-phenylcyclohexa-1,3-diene
CID 174457167
(2R)-2-(2-phenylethenyl)morpholine
CID 54208083

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).