N-[2-(7-methoxy-1-benzothiophen-3-yl)ethyl]-2-methylpropan-1-amine

C15H21NOS — CID 81048737

IUPACN-[2-(7-methoxy-1-benzothiophen-3-yl)ethyl]-2-methylpropan-1-amine
SMILESCOc1cccc2c(CCNCC(C)C)csc12
InChIInChI=1S/C15H21NOS/c1-11(2)9-16-8-7-12-10-18-15-13(12)5-4-6-14(15)17-3/h4-6,10-11,16H,7-9H2,1-3H3
InChIKeyMBHQYJVLDQVLOZ-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.70
Rot. Bonds6

About N-[2-(7-methoxy-1-benzothiophen-3-yl)ethyl]-2-methylpropan-1-amine

N-[2-(7-methoxy-1-benzothiophen-3-yl)ethyl]-2-methylpropan-1-amine (PubChem CID 81048737) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is N-[2-(7-methoxy-1-benzothiophen-3-yl)ethyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(7-methoxy-1-benzothiophen-3-yl)ethyl]-2-methylpropan-1-amine
PubChem CID81048737
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC NameN-[2-(7-methoxy-1-benzothiophen-3-yl)ethyl]-2-methylpropan-1-amine
SMILESCOc1cccc2c(CCNCC(C)C)csc12
InChIInChI=1S/C15H21NOS/c1-11(2)9-16-8-7-12-10-18-15-13(12)5-4-6-14(15)17-3/h4-6,10-11,16H,7-9H2,1-3H3
InChIKeyMBHQYJVLDQVLOZ-UHFFFAOYSA-N
XLogP3.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(7-methoxy-1-benzothiophen-3-yl)ethyl]cyclopropanamine
CID 81048555
N-[2-(2-methoxyphenyl)ethyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113405438
N-[2-(2-methoxynaphthalen-1-yl)ethyl]-2-methylpropan-1-amine
CID 64867903
4-(2,6-dimethoxyphenoxy)-N-(2-methylpropyl)butan-1-amine
CID 62449812
N-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-methylpropan-1-amine
CID 82515969
N-[2-(2-methoxyphenyl)ethyl]-3-(2-methylpropylamino)propanamide
CID 109012770
N-[2-(2-methoxyphenoxy)ethyl]-2-methylpropan-1-amine;hydrochloride
CID 117067322
N-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]-2-methylpropan-1-amine
CID 39355527
N'-[2-(2-methoxyphenyl)ethyl]-2-methylpropane-1,3-diamine
CID 115198802
N-[2-(7-fluoro-1-benzothiophen-3-yl)ethyl]-2-methylpropan-2-amine
CID 81047617
N-[2-(1-benzothiophen-3-yl)ethyl]-2-hydroxy-3-methoxybenzamide
CID 87005563
N-[2-(2-methoxy-5-nitrophenyl)ethyl]-2-methylpropan-1-amine
CID 62548321

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-methoxy-1-benzothiophen-3-yl)ethyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-(7-methoxy-1-benzothiophen-3-yl)ethyl]-2-methylpropan-1-amine (CID 81048737) is N-[2-(7-methoxy-1-benzothiophen-3-yl)ethyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-(7-methoxy-1-benzothiophen-3-yl)ethyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-(7-methoxy-1-benzothiophen-3-yl)ethyl]-2-methylpropan-1-amine is COc1cccc2c(CCNCC(C)C)csc12.
What is the InChIKey of N-[2-(7-methoxy-1-benzothiophen-3-yl)ethyl]-2-methylpropan-1-amine?
The InChIKey is MBHQYJVLDQVLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c1-11(2)9-16-8-7-12-10-18-15-13(12)5-4-6-14(15)17-3/h4-6,10-11,16H,7-9H2,1-3H3.
What are the key properties of N-[2-(7-methoxy-1-benzothiophen-3-yl)ethyl]-2-methylpropan-1-amine?
N-[2-(7-methoxy-1-benzothiophen-3-yl)ethyl]-2-methylpropan-1-amine has a molecular weight of 263.41 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-methoxy-1-benzothiophen-3-yl)ethyl]-2-methylpropan-1-amine is sourced from PubChem (CID 81048737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).