(3-chloro-4-methylthiophen-2-yl)-(2-propoxyphenyl)methanamine

C15H18ClNOS — CID 103407260

IUPAC(3-chloro-4-methylthiophen-2-yl)-(2-propoxyphenyl)methanamine
SMILESCCCOc1ccccc1C(N)c1scc(C)c1Cl
InChIInChI=1S/C15H18ClNOS/c1-3-8-18-12-7-5-4-6-11(12)14(17)15-13(16)10(2)9-19-15/h4-7,9,14H,3,8,17H2,1-2H3
InChIKeyXNYNFZRQIVUEFP-UHFFFAOYSA-N
MW295.84 g/mol
LogP4.55
Rot. Bonds5

About (3-chloro-4-methylthiophen-2-yl)-(2-propoxyphenyl)methanamine

(3-chloro-4-methylthiophen-2-yl)-(2-propoxyphenyl)methanamine (PubChem CID 103407260) has the molecular formula C15H18ClNOS and a molecular weight of 295.84 g/mol. Its IUPAC name is (3-chloro-4-methylthiophen-2-yl)-(2-propoxyphenyl)methanamine.

Molecular Properties

Compound Name(3-chloro-4-methylthiophen-2-yl)-(2-propoxyphenyl)methanamine
PubChem CID103407260
Molecular FormulaC15H18ClNOS
Molecular Weight295.84 g/mol
Exact Mass295.08
IUPAC Name(3-chloro-4-methylthiophen-2-yl)-(2-propoxyphenyl)methanamine
SMILESCCCOc1ccccc1C(N)c1scc(C)c1Cl
InChIInChI=1S/C15H18ClNOS/c1-3-8-18-12-7-5-4-6-11(12)14(17)15-13(16)10(2)9-19-15/h4-7,9,14H,3,8,17H2,1-2H3
InChIKeyXNYNFZRQIVUEFP-UHFFFAOYSA-N
XLogP4.55
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.84
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzothiophen-3-yl-(2-propoxyphenyl)methanamine
CID 105035778
(3-chloro-4-methylphenyl)-(2-propoxyphenyl)methanamine
CID 105035816
(4,5-dimethylthiophen-2-yl)-(2-propoxyphenyl)methanamine
CID 105035938
(3-chlorothiophen-2-yl)-[2-(2-methoxyethoxy)phenyl]methanamine
CID 105035341
(5-fluoro-2-methylphenyl)-(2-propoxyphenyl)methanamine
CID 104660036
(5-bromo-4-methylthiophen-2-yl)-(2-propoxyphenyl)methanamine
CID 105035965
(2-ethylphenyl)-(2-propoxyphenyl)methanamine
CID 105035937
(5-bromo-2-methylphenyl)-(2-propoxyphenyl)methanamine
CID 105036006
(3-bromo-4-ethoxyphenyl)-(3-chloro-4-methylthiophen-2-yl)methanamine
CID 103401408
(2-bromo-5-methylphenyl)-(2-propoxyphenyl)methanamine
CID 105036012
(1R)-2-methyl-1-(2-propoxyphenyl)propan-1-amine;hydrochloride
CID 175653806
(5-methyl-3-pyridinyl)-(2-propoxyphenyl)methanamine
CID 105180812

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylthiophen-2-yl)-(2-propoxyphenyl)methanamine?
The IUPAC name of (3-chloro-4-methylthiophen-2-yl)-(2-propoxyphenyl)methanamine (CID 103407260) is (3-chloro-4-methylthiophen-2-yl)-(2-propoxyphenyl)methanamine.
What is the SMILES notation for (3-chloro-4-methylthiophen-2-yl)-(2-propoxyphenyl)methanamine?
The canonical SMILES for (3-chloro-4-methylthiophen-2-yl)-(2-propoxyphenyl)methanamine is CCCOc1ccccc1C(N)c1scc(C)c1Cl.
What is the InChIKey of (3-chloro-4-methylthiophen-2-yl)-(2-propoxyphenyl)methanamine?
The InChIKey is XNYNFZRQIVUEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNOS/c1-3-8-18-12-7-5-4-6-11(12)14(17)15-13(16)10(2)9-19-15/h4-7,9,14H,3,8,17H2,1-2H3.
What are the key properties of (3-chloro-4-methylthiophen-2-yl)-(2-propoxyphenyl)methanamine?
(3-chloro-4-methylthiophen-2-yl)-(2-propoxyphenyl)methanamine has a molecular weight of 295.84 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylthiophen-2-yl)-(2-propoxyphenyl)methanamine is sourced from PubChem (CID 103407260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).