3-morpholin-4-yl-N-(3-phenothiazin-10-ylpropyl)propan-1-amine

C22H29N3OS — CID 171358116

IUPAC3-morpholin-4-yl-N-(3-phenothiazin-10-ylpropyl)propan-1-amine
SMILESc1ccc2c(c1)Sc1ccccc1N2CCCNCCCN1CCOCC1
InChIInChI=1S/C22H29N3OS/c1-3-9-21-19(7-1)25(20-8-2-4-10-22(20)27-21)14-6-12-23-11-5-13-24-15-17-26-18-16-24/h1-4,7-10,23H,5-6,11-18H2
InChIKeyHVCGBSXQPSQAFS-UHFFFAOYSA-N
MW383.56 g/mol
LogP3.99
Rot. Bonds8

About 3-morpholin-4-yl-N-(3-phenothiazin-10-ylpropyl)propan-1-amine

3-morpholin-4-yl-N-(3-phenothiazin-10-ylpropyl)propan-1-amine (PubChem CID 171358116) has the molecular formula C22H29N3OS and a molecular weight of 383.56 g/mol. Its IUPAC name is 3-morpholin-4-yl-N-(3-phenothiazin-10-ylpropyl)propan-1-amine.

Molecular Properties

Compound Name3-morpholin-4-yl-N-(3-phenothiazin-10-ylpropyl)propan-1-amine
PubChem CID171358116
Molecular FormulaC22H29N3OS
Molecular Weight383.56 g/mol
Exact Mass383.20
IUPAC Name3-morpholin-4-yl-N-(3-phenothiazin-10-ylpropyl)propan-1-amine
SMILESc1ccc2c(c1)Sc1ccccc1N2CCCNCCCN1CCOCC1
InChIInChI=1S/C22H29N3OS/c1-3-9-21-19(7-1)25(20-8-2-4-10-22(20)27-21)14-6-12-23-11-5-13-24-15-17-26-18-16-24/h1-4,7-10,23H,5-6,11-18H2
InChIKeyHVCGBSXQPSQAFS-UHFFFAOYSA-N
XLogP3.99
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.56
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_666_A(13)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-3-phenothiazin-10-ylpropan-1-amine
CID 61387618
4-[1-[4-(2-methylphenothiazin-10-yl)butyl]piperidin-4-yl]morpholine
CID 135264183
4-[1-[3-(3-methylphenothiazin-10-yl)propyl]piperidin-4-yl]morpholine
CID 135264198
N-methyl-3-phenothiazin-10-ylpropan-1-amine;hydrochloride
CID 155804735
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-3-phenothiazin-10-ylpropanamide
CID 37151951
3-morpholin-4-yl-N-[[4-[(3-morpholin-4-ylpropylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899046
N'-[2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl]ethane-1,2-diamine
CID 25010340
1-(4-phenothiazin-10-ylbutyl)piperidine-4-carboxylic acid
CID 50852383
N-[2-(4-chlorophenyl)sulfanylethyl]-3-morpholin-4-ylpropan-1-amine
CID 3022021
3-morpholin-4-yl-N-(2-pyridin-2-ylethyl)propan-1-amine
CID 60649527
N-[(5-chlorothiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 28672980
3-phenothiazin-10-yl-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119391157

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-N-(3-phenothiazin-10-ylpropyl)propan-1-amine?
The IUPAC name of 3-morpholin-4-yl-N-(3-phenothiazin-10-ylpropyl)propan-1-amine (CID 171358116) is 3-morpholin-4-yl-N-(3-phenothiazin-10-ylpropyl)propan-1-amine.
What is the SMILES notation for 3-morpholin-4-yl-N-(3-phenothiazin-10-ylpropyl)propan-1-amine?
The canonical SMILES for 3-morpholin-4-yl-N-(3-phenothiazin-10-ylpropyl)propan-1-amine is c1ccc2c(c1)Sc1ccccc1N2CCCNCCCN1CCOCC1.
What is the InChIKey of 3-morpholin-4-yl-N-(3-phenothiazin-10-ylpropyl)propan-1-amine?
The InChIKey is HVCGBSXQPSQAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3OS/c1-3-9-21-19(7-1)25(20-8-2-4-10-22(20)27-21)14-6-12-23-11-5-13-24-15-17-26-18-16-24/h1-4,7-10,23H,5-6,11-18H2.
What are the key properties of 3-morpholin-4-yl-N-(3-phenothiazin-10-ylpropyl)propan-1-amine?
3-morpholin-4-yl-N-(3-phenothiazin-10-ylpropyl)propan-1-amine has a molecular weight of 383.56 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-N-(3-phenothiazin-10-ylpropyl)propan-1-amine is sourced from PubChem (CID 171358116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).