1-(3-chloro-4-thiomorpholin-4-ylphenyl)ethanamine

C12H17ClN2S — CID 62908663

IUPAC1-(3-chloro-4-thiomorpholin-4-ylphenyl)ethanamine
SMILESCC(N)c1ccc(N2CCSCC2)c(Cl)c1
InChIInChI=1S/C12H17ClN2S/c1-9(14)10-2-3-12(11(13)8-10)15-4-6-16-7-5-15/h2-3,8-9H,4-7,14H2,1H3
InChIKeyYKMGOHANEXSJBX-UHFFFAOYSA-N
MW256.80 g/mol
LogP2.91
Rot. Bonds2

About 1-(3-chloro-4-thiomorpholin-4-ylphenyl)ethanamine

1-(3-chloro-4-thiomorpholin-4-ylphenyl)ethanamine (PubChem CID 62908663) has the molecular formula C12H17ClN2S and a molecular weight of 256.80 g/mol. Its IUPAC name is 1-(3-chloro-4-thiomorpholin-4-ylphenyl)ethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-thiomorpholin-4-ylphenyl)ethanamine
PubChem CID62908663
Molecular FormulaC12H17ClN2S
Molecular Weight256.80 g/mol
Exact Mass256.08
IUPAC Name1-(3-chloro-4-thiomorpholin-4-ylphenyl)ethanamine
SMILESCC(N)c1ccc(N2CCSCC2)c(Cl)c1
InChIInChI=1S/C12H17ClN2S/c1-9(14)10-2-3-12(11(13)8-10)15-4-6-16-7-5-15/h2-3,8-9H,4-7,14H2,1H3
InChIKeyYKMGOHANEXSJBX-UHFFFAOYSA-N
XLogP2.91
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.80
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-chloro-4-thiomorpholin-4-ylphenyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-(3-fluoro-4-thiomorpholin-4-ylphenyl)ethanamine
CID 28787551
1-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]ethanamine
CID 62910177
1-[3-chloro-4-(7,7-dimethyl-1,4-thiazepan-4-yl)phenyl]ethanamine
CID 107455865
1-[3-chloro-4-(3,4-dimethylpyrrolidin-1-yl)phenyl]ethanamine
CID 79188821
(1S)-1-[3-chloro-4-(4,4-diethylpiperidin-1-yl)phenyl]ethanamine
CID 78944491
(1R)-1-[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanamine
CID 78934597
1-[4-(3-azaspiro[5.5]undecan-3-yl)-3-chlorophenyl]ethanamine
CID 63532102
(1S)-1-[3-chloro-4-(4-methylsulfanylpiperidin-1-yl)phenyl]ethanamine
CID 114237230
[1-[4-(1-aminoethyl)-2-chlorophenyl]piperidin-4-yl]methanol
CID 55132072
1-[3-chloro-4-(4-methylazepan-1-yl)phenyl]ethanamine
CID 63623731
(1R)-1-[3-chloro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]ethanamine
CID 63368236
4-[4-(1-aminoethyl)-2-chlorophenyl]piperazine-2,6-dione
CID 66083936

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-thiomorpholin-4-ylphenyl)ethanamine?
The IUPAC name of 1-(3-chloro-4-thiomorpholin-4-ylphenyl)ethanamine (CID 62908663) is 1-(3-chloro-4-thiomorpholin-4-ylphenyl)ethanamine.
What is the SMILES notation for 1-(3-chloro-4-thiomorpholin-4-ylphenyl)ethanamine?
The canonical SMILES for 1-(3-chloro-4-thiomorpholin-4-ylphenyl)ethanamine is CC(N)c1ccc(N2CCSCC2)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-thiomorpholin-4-ylphenyl)ethanamine?
The InChIKey is YKMGOHANEXSJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2S/c1-9(14)10-2-3-12(11(13)8-10)15-4-6-16-7-5-15/h2-3,8-9H,4-7,14H2,1H3.
What are the key properties of 1-(3-chloro-4-thiomorpholin-4-ylphenyl)ethanamine?
1-(3-chloro-4-thiomorpholin-4-ylphenyl)ethanamine has a molecular weight of 256.80 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-thiomorpholin-4-ylphenyl)ethanamine is sourced from PubChem (CID 62908663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).