(2-chloro-4-methyl-5-propylthiophen-3-yl)methanamine

C9H14ClNS — CID 130913790

IUPAC(2-chloro-4-methyl-5-propylthiophen-3-yl)methanamine
SMILESCCCc1sc(Cl)c(CN)c1C
InChIInChI=1S/C9H14ClNS/c1-3-4-8-6(2)7(5-11)9(10)12-8/h3-5,11H2,1-2H3
InChIKeyKXKNCLJSAUWZSU-UHFFFAOYSA-N
MW203.74 g/mol
LogP3.12
Rot. Bonds3

About (2-chloro-4-methyl-5-propylthiophen-3-yl)methanamine

(2-chloro-4-methyl-5-propylthiophen-3-yl)methanamine (PubChem CID 130913790) has the molecular formula C9H14ClNS and a molecular weight of 203.74 g/mol. Its IUPAC name is (2-chloro-4-methyl-5-propylthiophen-3-yl)methanamine.

Molecular Properties

Compound Name(2-chloro-4-methyl-5-propylthiophen-3-yl)methanamine
PubChem CID130913790
Molecular FormulaC9H14ClNS
Molecular Weight203.74 g/mol
Exact Mass203.05
IUPAC Name(2-chloro-4-methyl-5-propylthiophen-3-yl)methanamine
SMILESCCCc1sc(Cl)c(CN)c1C
InChIInChI=1S/C9H14ClNS/c1-3-4-8-6(2)7(5-11)9(10)12-8/h3-5,11H2,1-2H3
InChIKeyKXKNCLJSAUWZSU-UHFFFAOYSA-N
XLogP3.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.74
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chloro-4-methyl-5-pentylthiophen-3-yl)methanamine
CID 114748609
[2-chloro-5-(methoxymethyl)-4-methylthiophen-3-yl]methanamine
CID 114748619
[2-chloro-5-(4-methoxyphenyl)-4-methylthiophen-3-yl]methanamine
CID 114748563
4-chloro-5-methyl-6-propylthieno[2,3-d]pyrimidine
CID 1222542
2-[[4-(aminomethyl)benzoyl]amino]-4-methyl-5-propylthiophene-3-carboxylic acid
CID 151025122
(5,6-difluoro-3-propyl-1-benzothiophen-2-yl)methanamine
CID 114378284
2-bromo-5-hexyl-4-methylthiophen-3-amine
CID 114749215
(4-butyl-2,3,5,6-tetrafluorophenyl)methanamine
CID 19433019
(2-methyl-4-propylphenyl)methanamine
CID 86664509
(2,3,5,6-tetrafluoro-4-pentylphenyl)methanamine
CID 19433002
[2-chloro-4-(3-fluorophenyl)-5-methylthiophen-3-yl]methanamine
CID 114873424
3-methyl-5-pentyl-4-propylthiophene-2-sulfonamide
CID 66930256

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-methyl-5-propylthiophen-3-yl)methanamine?
The IUPAC name of (2-chloro-4-methyl-5-propylthiophen-3-yl)methanamine (CID 130913790) is (2-chloro-4-methyl-5-propylthiophen-3-yl)methanamine.
What is the SMILES notation for (2-chloro-4-methyl-5-propylthiophen-3-yl)methanamine?
The canonical SMILES for (2-chloro-4-methyl-5-propylthiophen-3-yl)methanamine is CCCc1sc(Cl)c(CN)c1C.
What is the InChIKey of (2-chloro-4-methyl-5-propylthiophen-3-yl)methanamine?
The InChIKey is KXKNCLJSAUWZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClNS/c1-3-4-8-6(2)7(5-11)9(10)12-8/h3-5,11H2,1-2H3.
What are the key properties of (2-chloro-4-methyl-5-propylthiophen-3-yl)methanamine?
(2-chloro-4-methyl-5-propylthiophen-3-yl)methanamine has a molecular weight of 203.74 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-methyl-5-propylthiophen-3-yl)methanamine is sourced from PubChem (CID 130913790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).