N-[(6-methoxy-3-propyl-1-benzothiophen-2-yl)methyl]cyclopropanamine

C16H21NOS — CID 102972150

IUPACN-[(6-methoxy-3-propyl-1-benzothiophen-2-yl)methyl]cyclopropanamine
SMILESCCCc1c(CNC2CC2)sc2cc(OC)ccc12
InChIInChI=1S/C16H21NOS/c1-3-4-13-14-8-7-12(18-2)9-15(14)19-16(13)10-17-11-5-6-11/h7-9,11,17H,3-6,10H2,1-2H3
InChIKeyHABUXUFGVQPXJS-UHFFFAOYSA-N
MW275.42 g/mol
LogP4.11
Rot. Bonds6

About N-[(6-methoxy-3-propyl-1-benzothiophen-2-yl)methyl]cyclopropanamine

N-[(6-methoxy-3-propyl-1-benzothiophen-2-yl)methyl]cyclopropanamine (PubChem CID 102972150) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is N-[(6-methoxy-3-propyl-1-benzothiophen-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(6-methoxy-3-propyl-1-benzothiophen-2-yl)methyl]cyclopropanamine
PubChem CID102972150
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC NameN-[(6-methoxy-3-propyl-1-benzothiophen-2-yl)methyl]cyclopropanamine
SMILESCCCc1c(CNC2CC2)sc2cc(OC)ccc12
InChIInChI=1S/C16H21NOS/c1-3-4-13-14-8-7-12(18-2)9-15(14)19-16(13)10-17-11-5-6-11/h7-9,11,17H,3-6,10H2,1-2H3
InChIKeyHABUXUFGVQPXJS-UHFFFAOYSA-N
XLogP4.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(6-methoxy-3-methyl-1-benzothiophen-2-yl)methyl]cyclopropanamine
CID 102972146
N-[(5-methoxy-3-propyl-1-benzofuran-2-yl)methyl]cyclopropanamine
CID 114375304
6-methoxy-1,2,3,4-tetrapropylnaphthalene
CID 101211335
N-[(6-fluoro-3-methyl-1-benzothiophen-2-yl)methyl]cyclopropanamine
CID 102972330
N-[(3,5,6-trimethyl-1-benzothiophen-2-yl)methyl]cyclopropanamine
CID 81048147
N-[[2-(2,5-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82427321
N-[(2-bromo-5-methoxyphenyl)methyl]cyclopropanamine
CID 43163816
N-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 167726962
N-[(2-cyclopentyloxy-5-methoxyphenyl)methyl]cyclopropanamine
CID 43276489
N-[[5-methoxy-3-(2-methylpropyl)-1-benzothiophen-2-yl]methyl]ethanamine
CID 114377869
1-(3-tert-butyl-6-methoxy-1-benzothiophen-2-yl)-N-methylmethanamine
CID 102972175
N-[(2-fluoro-4-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine
CID 83310423

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-3-propyl-1-benzothiophen-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(6-methoxy-3-propyl-1-benzothiophen-2-yl)methyl]cyclopropanamine (CID 102972150) is N-[(6-methoxy-3-propyl-1-benzothiophen-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(6-methoxy-3-propyl-1-benzothiophen-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(6-methoxy-3-propyl-1-benzothiophen-2-yl)methyl]cyclopropanamine is CCCc1c(CNC2CC2)sc2cc(OC)ccc12.
What is the InChIKey of N-[(6-methoxy-3-propyl-1-benzothiophen-2-yl)methyl]cyclopropanamine?
The InChIKey is HABUXUFGVQPXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-3-4-13-14-8-7-12(18-2)9-15(14)19-16(13)10-17-11-5-6-11/h7-9,11,17H,3-6,10H2,1-2H3.
What are the key properties of N-[(6-methoxy-3-propyl-1-benzothiophen-2-yl)methyl]cyclopropanamine?
N-[(6-methoxy-3-propyl-1-benzothiophen-2-yl)methyl]cyclopropanamine has a molecular weight of 275.42 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-3-propyl-1-benzothiophen-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 102972150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).