1-[5-(2-chloro-4-methylphenyl)thiophen-2-yl]-1-cyclopropyl-N-methylmethanamine

C16H18ClNS — CID 43287807

IUPAC1-[5-(2-chloro-4-methylphenyl)thiophen-2-yl]-1-cyclopropyl-N-methylmethanamine
SMILESCNC(c1ccc(-c2ccc(C)cc2Cl)s1)C1CC1
InChIInChI=1S/C16H18ClNS/c1-10-3-6-12(13(17)9-10)14-7-8-15(19-14)16(18-2)11-4-5-11/h3,6-9,11,16,18H,4-5H2,1-2H3
InChIKeyVLFDLBOYOGCZAK-UHFFFAOYSA-N
MW291.85 g/mol
LogP5.05
Rot. Bonds4

About 1-[5-(2-chloro-4-methylphenyl)thiophen-2-yl]-1-cyclopropyl-N-methylmethanamine

1-[5-(2-chloro-4-methylphenyl)thiophen-2-yl]-1-cyclopropyl-N-methylmethanamine (PubChem CID 43287807) has the molecular formula C16H18ClNS and a molecular weight of 291.85 g/mol. Its IUPAC name is 1-[5-(2-chloro-4-methylphenyl)thiophen-2-yl]-1-cyclopropyl-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(2-chloro-4-methylphenyl)thiophen-2-yl]-1-cyclopropyl-N-methylmethanamine
PubChem CID43287807
Molecular FormulaC16H18ClNS
Molecular Weight291.85 g/mol
Exact Mass291.08
IUPAC Name1-[5-(2-chloro-4-methylphenyl)thiophen-2-yl]-1-cyclopropyl-N-methylmethanamine
SMILESCNC(c1ccc(-c2ccc(C)cc2Cl)s1)C1CC1
InChIInChI=1S/C16H18ClNS/c1-10-3-6-12(13(17)9-10)14-7-8-15(19-14)16(18-2)11-4-5-11/h3,6-9,11,16,18H,4-5H2,1-2H3
InChIKeyVLFDLBOYOGCZAK-UHFFFAOYSA-N
XLogP5.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.85
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(4-bromophenyl)thiophen-2-yl]-1-cyclopropyl-N-methylmethanamine
CID 43288068
1-cyclopropyl-1-[5-(2,3-dimethylphenyl)thiophen-2-yl]-N-methylmethanamine
CID 43287604
1-cyclopropyl-1-[5-(2,6-dibromo-4-methylphenyl)thiophen-2-yl]-N-methylmethanamine
CID 43288016
1-cyclopropyl-1-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]-N-methylmethanamine
CID 62813412
1-cyclopropyl-N-methyl-1-[5-(2-propan-2-ylphenyl)thiophen-2-yl]methanamine
CID 43287687
1-cyclopropyl-N-methyl-1-(5-naphthalen-2-ylthiophen-2-yl)methanamine
CID 43287655
N-[[5-(4-bromo-2-methylphenyl)thiophen-2-yl]-cyclopropylmethyl]ethanamine
CID 81287372
1-cyclopropyl-N-methyl-1-[5-(2-propylphenyl)thiophen-2-yl]methanamine
CID 63400602
1-[5-(2-chloro-4-iodophenyl)thiophen-2-yl]-N-methylethanamine
CID 107607471
N-[cyclopropyl-[5-(3,4-dichlorophenyl)thiophen-2-yl]methyl]ethanamine
CID 43288281
1-(4-tert-butylcyclohexyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine
CID 55196430
N-[cyclopropyl-[5-(2-methylphenyl)thiophen-2-yl]methyl]ethanamine
CID 43288356

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-chloro-4-methylphenyl)thiophen-2-yl]-1-cyclopropyl-N-methylmethanamine?
The IUPAC name of 1-[5-(2-chloro-4-methylphenyl)thiophen-2-yl]-1-cyclopropyl-N-methylmethanamine (CID 43287807) is 1-[5-(2-chloro-4-methylphenyl)thiophen-2-yl]-1-cyclopropyl-N-methylmethanamine.
What is the SMILES notation for 1-[5-(2-chloro-4-methylphenyl)thiophen-2-yl]-1-cyclopropyl-N-methylmethanamine?
The canonical SMILES for 1-[5-(2-chloro-4-methylphenyl)thiophen-2-yl]-1-cyclopropyl-N-methylmethanamine is CNC(c1ccc(-c2ccc(C)cc2Cl)s1)C1CC1.
What is the InChIKey of 1-[5-(2-chloro-4-methylphenyl)thiophen-2-yl]-1-cyclopropyl-N-methylmethanamine?
The InChIKey is VLFDLBOYOGCZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNS/c1-10-3-6-12(13(17)9-10)14-7-8-15(19-14)16(18-2)11-4-5-11/h3,6-9,11,16,18H,4-5H2,1-2H3.
What are the key properties of 1-[5-(2-chloro-4-methylphenyl)thiophen-2-yl]-1-cyclopropyl-N-methylmethanamine?
1-[5-(2-chloro-4-methylphenyl)thiophen-2-yl]-1-cyclopropyl-N-methylmethanamine has a molecular weight of 291.85 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-chloro-4-methylphenyl)thiophen-2-yl]-1-cyclopropyl-N-methylmethanamine is sourced from PubChem (CID 43287807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).