3-chloro-4-morpholin-4-yl-N-(thiophen-2-ylmethyl)aniline

C15H17ClN2OS — CID 755952

IUPAC3-chloro-4-morpholin-4-yl-N-(thiophen-2-ylmethyl)aniline
SMILESClc1cc(NCc2cccs2)ccc1N1CCOCC1
InChIInChI=1S/C15H17ClN2OS/c16-14-10-12(17-11-13-2-1-9-20-13)3-4-15(14)18-5-7-19-8-6-18/h1-4,9-10,17H,5-8,11H2
InChIKeyDKACBZOTLOOORO-UHFFFAOYSA-N
MW308.83 g/mol
LogP3.85
Rot. Bonds4

About 3-chloro-4-morpholin-4-yl-N-(thiophen-2-ylmethyl)aniline

3-chloro-4-morpholin-4-yl-N-(thiophen-2-ylmethyl)aniline (PubChem CID 755952) has the molecular formula C15H17ClN2OS and a molecular weight of 308.83 g/mol. Its IUPAC name is 3-chloro-4-morpholin-4-yl-N-(thiophen-2-ylmethyl)aniline.

Molecular Properties

Compound Name3-chloro-4-morpholin-4-yl-N-(thiophen-2-ylmethyl)aniline
PubChem CID755952
Molecular FormulaC15H17ClN2OS
Molecular Weight308.83 g/mol
Exact Mass308.08
IUPAC Name3-chloro-4-morpholin-4-yl-N-(thiophen-2-ylmethyl)aniline
SMILESClc1cc(NCc2cccs2)ccc1N1CCOCC1
InChIInChI=1S/C15H17ClN2OS/c16-14-10-12(17-11-13-2-1-9-20-13)3-4-15(14)18-5-7-19-8-6-18/h1-4,9-10,17H,5-8,11H2
InChIKeyDKACBZOTLOOORO-UHFFFAOYSA-N
XLogP3.85
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.83
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

(5-Methyl-thiophen-2-ylmethyl)-(4-morpholin-4-yl-phenyl)-amine
CID 648863
N-[3-chloro-4-(morpholin-4-yl)phenyl]-2-[(4-fluorophenyl)sulfanyl]acetamide
CID 2995805
5-chloro-N-(4-morpholin-4-ylphenyl)thiophene-2-sulfonamide
CID 2161790
N'-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-N-(thien-2-ylmethyl)thiourea
CID 5073032
2-(3-chloro-2-morpholin-4-ylanilino)-N-(thiophen-2-ylmethyl)acetamide
CID 39998851
3-chloro-N-[(5-methylthiophen-2-yl)methyl]-4-(morpholin-4-yl)aniline
CID 755958
1-(2-Chlorophenyl)-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)urea
CID 4963404
1-(3-Chlorophenyl)-3-(1-morpholino-1-(thiophen-2-yl)propan-2-yl)urea
CID 16806640
(4-Morpholin-4-ylphenyl)(2-thienylmethyl)amine
CID 601040
N-(4-chlorophenyl)-3-(4-morpholinyl)-3-(2-thienyl)acrylamide
CID 72962050
N-(4-chlorophenyl)-3-(4-morpholinyl)-3-(2-thienyl)thioacrylamide
CID 74028889
1-((4-Chlorophenyl)(thien-2-ylmethyl)amino)-3-(piperazin-1-yl)propan-2-ol
CID 129654278

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-morpholin-4-yl-N-(thiophen-2-ylmethyl)aniline?
The IUPAC name of 3-chloro-4-morpholin-4-yl-N-(thiophen-2-ylmethyl)aniline (CID 755952) is 3-chloro-4-morpholin-4-yl-N-(thiophen-2-ylmethyl)aniline.
What is the SMILES notation for 3-chloro-4-morpholin-4-yl-N-(thiophen-2-ylmethyl)aniline?
The canonical SMILES for 3-chloro-4-morpholin-4-yl-N-(thiophen-2-ylmethyl)aniline is Clc1cc(NCc2cccs2)ccc1N1CCOCC1.
What is the InChIKey of 3-chloro-4-morpholin-4-yl-N-(thiophen-2-ylmethyl)aniline?
The InChIKey is DKACBZOTLOOORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2OS/c16-14-10-12(17-11-13-2-1-9-20-13)3-4-15(14)18-5-7-19-8-6-18/h1-4,9-10,17H,5-8,11H2.
What are the key properties of 3-chloro-4-morpholin-4-yl-N-(thiophen-2-ylmethyl)aniline?
3-chloro-4-morpholin-4-yl-N-(thiophen-2-ylmethyl)aniline has a molecular weight of 308.83 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-morpholin-4-yl-N-(thiophen-2-ylmethyl)aniline is sourced from PubChem (CID 755952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).