N,N-dibutyl-8-morpholin-4-yl-10H-phenothiazin-2-amine

C24H33N3OS — CID 59442898

IUPACN,N-dibutyl-8-morpholin-4-yl-10H-phenothiazin-2-amine
SMILESCCCCN(CCCC)c1ccc2c(c1)Nc1cc(N3CCOCC3)ccc1S2
InChIInChI=1S/C24H33N3OS/c1-3-5-11-26(12-6-4-2)19-7-9-23-21(17-19)25-22-18-20(8-10-24(22)29-23)27-13-15-28-16-14-27/h7-10,17-18,25H,3-6,11-16H2,1-2H3
InChIKeyAODDMGBTCVVWJN-UHFFFAOYSA-N
MW411.62 g/mol
LogP6.14
Rot. Bonds8

About N,N-dibutyl-8-morpholin-4-yl-10H-phenothiazin-2-amine

N,N-dibutyl-8-morpholin-4-yl-10H-phenothiazin-2-amine (PubChem CID 59442898) has the molecular formula C24H33N3OS and a molecular weight of 411.62 g/mol. Its IUPAC name is N,N-dibutyl-8-morpholin-4-yl-10H-phenothiazin-2-amine.

Molecular Properties

Compound NameN,N-dibutyl-8-morpholin-4-yl-10H-phenothiazin-2-amine
PubChem CID59442898
Molecular FormulaC24H33N3OS
Molecular Weight411.62 g/mol
Exact Mass411.23
IUPAC NameN,N-dibutyl-8-morpholin-4-yl-10H-phenothiazin-2-amine
SMILESCCCCN(CCCC)c1ccc2c(c1)Nc1cc(N3CCOCC3)ccc1S2
InChIInChI=1S/C24H33N3OS/c1-3-5-11-26(12-6-4-2)19-7-9-23-21(17-19)25-22-18-20(8-10-24(22)29-23)27-13-15-28-16-14-27/h7-10,17-18,25H,3-6,11-16H2,1-2H3
InChIKeyAODDMGBTCVVWJN-UHFFFAOYSA-N
XLogP6.14
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.62
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dibutylaniline;4-phenylmorpholine
CID 159818534
N,N-dibutyl-4-(4-ethylpiperidin-1-yl)aniline
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N-butyl-4-morpholin-4-ylaniline
CID 28675754
4-(1-fluoro-7-morpholin-4-yl-10H-phenothiazin-3-yl)morpholine;hydrochloride
CID 173481523
N,N-dimethyl-4-morpholin-4-ylaniline
CID 11264229
6-(dibutylamino)naphthalene-2-carboxylate;6-(diethylamino)naphthalene-2-carboxylate;6-(dimethylamino)naphthalene-2-carboxylate;4-(4-methylpiperazin-1-yl)benzoate;4-morpholin-4-ylbenzoate;4-(1,3-oxazolidin-3-yl)benzoate;4-piperazin-1-ylbenzoate;4-(1,3-thiazolidin-3-yl)benzoate;4-thiomorpholin-4-ylbenzoate
CID 159464738
4-bromo-N-butyl-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
CID 47075351
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CID 101022137
1-butyl-3,7-bis(4-methylpiperazin-1-yl)-10H-phenothiazine
CID 90281838
2-[4-(dibutylamino)-2-methylphenyl]-4-[4-[4-[4-[3-[4-(dibutylamino)-2-methylphenyl]-2,4-dihydroxycyclobutyl]phenyl]piperazin-1-yl]phenyl]cyclobutane-1,3-diol
CID 153206577
4-(4-ethyl-3-methylphenyl)morpholine
CID 71052308
N,N-dibutyl-4-fluoroaniline
CID 15399711

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-8-morpholin-4-yl-10H-phenothiazin-2-amine?
The IUPAC name of N,N-dibutyl-8-morpholin-4-yl-10H-phenothiazin-2-amine (CID 59442898) is N,N-dibutyl-8-morpholin-4-yl-10H-phenothiazin-2-amine.
What is the SMILES notation for N,N-dibutyl-8-morpholin-4-yl-10H-phenothiazin-2-amine?
The canonical SMILES for N,N-dibutyl-8-morpholin-4-yl-10H-phenothiazin-2-amine is CCCCN(CCCC)c1ccc2c(c1)Nc1cc(N3CCOCC3)ccc1S2.
What is the InChIKey of N,N-dibutyl-8-morpholin-4-yl-10H-phenothiazin-2-amine?
The InChIKey is AODDMGBTCVVWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3OS/c1-3-5-11-26(12-6-4-2)19-7-9-23-21(17-19)25-22-18-20(8-10-24(22)29-23)27-13-15-28-16-14-27/h7-10,17-18,25H,3-6,11-16H2,1-2H3.
What are the key properties of N,N-dibutyl-8-morpholin-4-yl-10H-phenothiazin-2-amine?
N,N-dibutyl-8-morpholin-4-yl-10H-phenothiazin-2-amine has a molecular weight of 411.62 g/mol, XLogP of 6.14, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-8-morpholin-4-yl-10H-phenothiazin-2-amine is sourced from PubChem (CID 59442898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).