1-(4-chlorophenyl)-N-methyl-3-(thian-4-yl)propan-2-amine

C15H22ClNS — CID 105085436

IUPAC1-(4-chlorophenyl)-N-methyl-3-(thian-4-yl)propan-2-amine
SMILESCNC(Cc1ccc(Cl)cc1)CC1CCSCC1
InChIInChI=1S/C15H22ClNS/c1-17-15(11-13-6-8-18-9-7-13)10-12-2-4-14(16)5-3-12/h2-5,13,15,17H,6-11H2,1H3
InChIKeyNDPODHLAWPQXMB-UHFFFAOYSA-N
MW283.87 g/mol
LogP4.00
Rot. Bonds5

About 1-(4-chlorophenyl)-N-methyl-3-(thian-4-yl)propan-2-amine

1-(4-chlorophenyl)-N-methyl-3-(thian-4-yl)propan-2-amine (PubChem CID 105085436) has the molecular formula C15H22ClNS and a molecular weight of 283.87 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-methyl-3-(thian-4-yl)propan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-methyl-3-(thian-4-yl)propan-2-amine
PubChem CID105085436
Molecular FormulaC15H22ClNS
Molecular Weight283.87 g/mol
Exact Mass283.12
IUPAC Name1-(4-chlorophenyl)-N-methyl-3-(thian-4-yl)propan-2-amine
SMILESCNC(Cc1ccc(Cl)cc1)CC1CCSCC1
InChIInChI=1S/C15H22ClNS/c1-17-15(11-13-6-8-18-9-7-13)10-12-2-4-14(16)5-3-12/h2-5,13,15,17H,6-11H2,1H3
InChIKeyNDPODHLAWPQXMB-UHFFFAOYSA-N
XLogP4.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.87
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(4-chlorophenyl)-3-(thian-4-yl)propan-2-yl]hydrazine
CID 105283379
N-methyl-1-(thian-4-yl)-3-thiophen-3-ylpropan-2-amine
CID 105137524
1-(3-fluorophenyl)-N-methyl-3-(thian-4-yl)propan-2-amine
CID 105095850
1-(2-chloro-4-fluorophenyl)-N-methyl-3-(thian-4-yl)propan-2-amine
CID 105133234
1-(4-chlorophenyl)-N-(thian-4-ylmethyl)propan-2-amine
CID 103910777
1-(3-bromo-2,6-difluorophenyl)-N-methyl-3-(thian-4-yl)propan-2-amine
CID 106274149
1-cycloheptyl-N-methyl-3-(4-methylphenyl)propan-2-amine
CID 114458140
1-cyclohexyl-3-(4-ethylphenyl)-N-methylpropan-2-amine
CID 115802880
1-cyclopentyl-N-methyl-3-(thian-4-yl)propan-2-amine
CID 105138955
N-methyl-1-(thian-4-yl)-3-(1,3-thiazol-2-yl)propan-2-amine
CID 105169149
1-cycloheptyl-N-methyl-3-phenylpropan-2-amine
CID 114458143
1-(4-chlorophenyl)-N-ethyl-3-(oxan-4-yl)propan-2-amine
CID 62601125

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-methyl-3-(thian-4-yl)propan-2-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-methyl-3-(thian-4-yl)propan-2-amine (CID 105085436) is 1-(4-chlorophenyl)-N-methyl-3-(thian-4-yl)propan-2-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-methyl-3-(thian-4-yl)propan-2-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-methyl-3-(thian-4-yl)propan-2-amine is CNC(Cc1ccc(Cl)cc1)CC1CCSCC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-methyl-3-(thian-4-yl)propan-2-amine?
The InChIKey is NDPODHLAWPQXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNS/c1-17-15(11-13-6-8-18-9-7-13)10-12-2-4-14(16)5-3-12/h2-5,13,15,17H,6-11H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-methyl-3-(thian-4-yl)propan-2-amine?
1-(4-chlorophenyl)-N-methyl-3-(thian-4-yl)propan-2-amine has a molecular weight of 283.87 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-methyl-3-(thian-4-yl)propan-2-amine is sourced from PubChem (CID 105085436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).