1-benzyl-N,N-dimethyl-6-(4-morpholin-4-ylphenyl)cyclohexa-2,4-dien-1-amine

C25H30N2O — CID 151278465

IUPAC1-benzyl-N,N-dimethyl-6-(4-morpholin-4-ylphenyl)cyclohexa-2,4-dien-1-amine
SMILESCN(C)C1(Cc2ccccc2)C=CC=CC1c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C25H30N2O/c1-26(2)25(20-21-8-4-3-5-9-21)15-7-6-10-24(25)22-11-13-23(14-12-22)27-16-18-28-19-17-27/h3-15,24H,16-20H2,1-2H3
InChIKeyNXWDGRRVDPIQMB-UHFFFAOYSA-N
MW374.53 g/mol
LogP4.28
Rot. Bonds5

About 1-benzyl-N,N-dimethyl-6-(4-morpholin-4-ylphenyl)cyclohexa-2,4-dien-1-amine

1-benzyl-N,N-dimethyl-6-(4-morpholin-4-ylphenyl)cyclohexa-2,4-dien-1-amine (PubChem CID 151278465) has the molecular formula C25H30N2O and a molecular weight of 374.53 g/mol. Its IUPAC name is 1-benzyl-N,N-dimethyl-6-(4-morpholin-4-ylphenyl)cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name1-benzyl-N,N-dimethyl-6-(4-morpholin-4-ylphenyl)cyclohexa-2,4-dien-1-amine
PubChem CID151278465
Molecular FormulaC25H30N2O
Molecular Weight374.53 g/mol
Exact Mass374.24
IUPAC Name1-benzyl-N,N-dimethyl-6-(4-morpholin-4-ylphenyl)cyclohexa-2,4-dien-1-amine
SMILESCN(C)C1(Cc2ccccc2)C=CC=CC1c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C25H30N2O/c1-26(2)25(20-21-8-4-3-5-9-21)15-7-6-10-24(25)22-11-13-23(14-12-22)27-16-18-28-19-17-27/h3-15,24H,16-20H2,1-2H3
InChIKeyNXWDGRRVDPIQMB-UHFFFAOYSA-N
XLogP4.28
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-(4-benzylphenyl)morpholine
CID 11514364
2-benzyl-N,N-dimethyl-1-(4-morpholin-4-ylphenyl)butan-2-amine;1,3,5-triazine
CID 66962333
4-[4-[(1S,2S)-2-methylcyclopropyl]phenyl]morpholine
CID 166443931
2-(dimethylamino)-4-(4-morpholin-4-ylphenyl)-5-phenylpentanal
CID 87659120
4-(4-cyclohexa-2,4-dien-1-ylphenyl)morpholine
CID 173062181
4-[4-[(2S,4R,5S)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]phenyl]morpholine
CID 125027394
4-morpholin-4-yl-N-phenylaniline
CID 159018746
N,N-dimethyl-1-(4-morpholin-4-ylphenyl)-5-phenylpentan-2-amine
CID 69032943
5,5-dimethyl-3-(4-morpholin-4-ylphenyl)imidazolidine-2,4-dione
CID 69342956
N,N-dimethyl-4-morpholin-4-ylaniline
CID 11264229
4-(4-ethylphenyl)morpholine
CID 20576442
(2R)-3-benzyl-2-(4-morpholin-4-ylphenyl)-1,2-dihydroquinazolin-4-one
CID 9006737

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N,N-dimethyl-6-(4-morpholin-4-ylphenyl)cyclohexa-2,4-dien-1-amine?
The IUPAC name of 1-benzyl-N,N-dimethyl-6-(4-morpholin-4-ylphenyl)cyclohexa-2,4-dien-1-amine (CID 151278465) is 1-benzyl-N,N-dimethyl-6-(4-morpholin-4-ylphenyl)cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 1-benzyl-N,N-dimethyl-6-(4-morpholin-4-ylphenyl)cyclohexa-2,4-dien-1-amine?
The canonical SMILES for 1-benzyl-N,N-dimethyl-6-(4-morpholin-4-ylphenyl)cyclohexa-2,4-dien-1-amine is CN(C)C1(Cc2ccccc2)C=CC=CC1c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 1-benzyl-N,N-dimethyl-6-(4-morpholin-4-ylphenyl)cyclohexa-2,4-dien-1-amine?
The InChIKey is NXWDGRRVDPIQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O/c1-26(2)25(20-21-8-4-3-5-9-21)15-7-6-10-24(25)22-11-13-23(14-12-22)27-16-18-28-19-17-27/h3-15,24H,16-20H2,1-2H3.
What are the key properties of 1-benzyl-N,N-dimethyl-6-(4-morpholin-4-ylphenyl)cyclohexa-2,4-dien-1-amine?
1-benzyl-N,N-dimethyl-6-(4-morpholin-4-ylphenyl)cyclohexa-2,4-dien-1-amine has a molecular weight of 374.53 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N,N-dimethyl-6-(4-morpholin-4-ylphenyl)cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 151278465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).