N-[(5-chloro-3-ethyl-1-benzothiophen-2-yl)methyl]-2-methylpropan-1-amine

C15H20ClNS — CID 113459877

IUPACN-[(5-chloro-3-ethyl-1-benzothiophen-2-yl)methyl]-2-methylpropan-1-amine
SMILESCCc1c(CNCC(C)C)sc2ccc(Cl)cc12
InChIInChI=1S/C15H20ClNS/c1-4-12-13-7-11(16)5-6-14(13)18-15(12)9-17-8-10(2)3/h5-7,10,17H,4,8-9H2,1-3H3
InChIKeyRTLBKXSKNRCPSA-UHFFFAOYSA-N
MW281.85 g/mol
LogP4.86
Rot. Bonds5

About N-[(5-chloro-3-ethyl-1-benzothiophen-2-yl)methyl]-2-methylpropan-1-amine

N-[(5-chloro-3-ethyl-1-benzothiophen-2-yl)methyl]-2-methylpropan-1-amine (PubChem CID 113459877) has the molecular formula C15H20ClNS and a molecular weight of 281.85 g/mol. Its IUPAC name is N-[(5-chloro-3-ethyl-1-benzothiophen-2-yl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(5-chloro-3-ethyl-1-benzothiophen-2-yl)methyl]-2-methylpropan-1-amine
PubChem CID113459877
Molecular FormulaC15H20ClNS
Molecular Weight281.85 g/mol
Exact Mass281.10
IUPAC NameN-[(5-chloro-3-ethyl-1-benzothiophen-2-yl)methyl]-2-methylpropan-1-amine
SMILESCCc1c(CNCC(C)C)sc2ccc(Cl)cc12
InChIInChI=1S/C15H20ClNS/c1-4-12-13-7-11(16)5-6-14(13)18-15(12)9-17-8-10(2)3/h5-7,10,17H,4,8-9H2,1-3H3
InChIKeyRTLBKXSKNRCPSA-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.85
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-fluoro-3-propan-2-yl-1-benzothiophen-2-yl)methyl]-2-methylpropan-1-amine
CID 114378033
N-[(5,6-dimethyl-3-propan-2-yl-1-benzothiophen-2-yl)methyl]-2-methylpropan-1-amine
CID 114378165
N-[(5-tert-butyl-3-methyl-1-benzothiophen-2-yl)methyl]-2-methylpropan-1-amine
CID 81049637
N-[[5-methoxy-3-(2-methylpropyl)-1-benzothiophen-2-yl]methyl]ethanamine
CID 114377869
N-[[4,7-dichloro-3-(2-methylpropyl)-1-benzothiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 114377940
N-[[4-(2,4-dichlorophenyl)thiadiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 65209016
N-[(3-cyclopropyl-6-fluoro-1-benzothiophen-2-yl)methyl]-2-methylpropan-1-amine
CID 102972365
N-methyl-1-[5-methyl-3-(2-methylpropyl)-1-benzothiophen-2-yl]methanamine
CID 114377984
N-[(5-chloro-2-methylsulfanylphenyl)methyl]-2-methylpropan-1-amine
CID 114864701
5-bromo-2-(chloromethyl)-3-ethyl-1-benzothiophene
CID 130914446
N-[[3-(methoxymethyl)-5-propan-2-yl-1-benzothiophen-2-yl]methyl]propan-1-amine
CID 114378133
N-[[4-fluoro-3-(propan-2-yloxymethyl)-1-benzothiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 62455770

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-3-ethyl-1-benzothiophen-2-yl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(5-chloro-3-ethyl-1-benzothiophen-2-yl)methyl]-2-methylpropan-1-amine (CID 113459877) is N-[(5-chloro-3-ethyl-1-benzothiophen-2-yl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(5-chloro-3-ethyl-1-benzothiophen-2-yl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(5-chloro-3-ethyl-1-benzothiophen-2-yl)methyl]-2-methylpropan-1-amine is CCc1c(CNCC(C)C)sc2ccc(Cl)cc12.
What is the InChIKey of N-[(5-chloro-3-ethyl-1-benzothiophen-2-yl)methyl]-2-methylpropan-1-amine?
The InChIKey is RTLBKXSKNRCPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNS/c1-4-12-13-7-11(16)5-6-14(13)18-15(12)9-17-8-10(2)3/h5-7,10,17H,4,8-9H2,1-3H3.
What are the key properties of N-[(5-chloro-3-ethyl-1-benzothiophen-2-yl)methyl]-2-methylpropan-1-amine?
N-[(5-chloro-3-ethyl-1-benzothiophen-2-yl)methyl]-2-methylpropan-1-amine has a molecular weight of 281.85 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-3-ethyl-1-benzothiophen-2-yl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 113459877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).