N-[(3-methyl-5-propan-2-yl-1-benzothiophen-2-yl)methyl]propan-2-amine

C16H23NS — CID 81049832

IUPACN-[(3-methyl-5-propan-2-yl-1-benzothiophen-2-yl)methyl]propan-2-amine
SMILESCc1c(CNC(C)C)sc2ccc(C(C)C)cc12
InChIInChI=1S/C16H23NS/c1-10(2)13-6-7-15-14(8-13)12(5)16(18-15)9-17-11(3)4/h6-8,10-11,17H,9H2,1-5H3
InChIKeyDLKVPCLUNWGDLT-UHFFFAOYSA-N
MW261.43 g/mol
LogP4.83
Rot. Bonds4

About N-[(3-methyl-5-propan-2-yl-1-benzothiophen-2-yl)methyl]propan-2-amine

N-[(3-methyl-5-propan-2-yl-1-benzothiophen-2-yl)methyl]propan-2-amine (PubChem CID 81049832) has the molecular formula C16H23NS and a molecular weight of 261.43 g/mol. Its IUPAC name is N-[(3-methyl-5-propan-2-yl-1-benzothiophen-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(3-methyl-5-propan-2-yl-1-benzothiophen-2-yl)methyl]propan-2-amine
PubChem CID81049832
Molecular FormulaC16H23NS
Molecular Weight261.43 g/mol
Exact Mass261.16
IUPAC NameN-[(3-methyl-5-propan-2-yl-1-benzothiophen-2-yl)methyl]propan-2-amine
SMILESCc1c(CNC(C)C)sc2ccc(C(C)C)cc12
InChIInChI=1S/C16H23NS/c1-10(2)13-6-7-15-14(8-13)12(5)16(18-15)9-17-11(3)4/h6-8,10-11,17H,9H2,1-5H3
InChIKeyDLKVPCLUNWGDLT-UHFFFAOYSA-N
XLogP4.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-methyl-5-propan-2-yl-1-benzothiophen-2-yl)methanamine
CID 81049299
N-[(5-tert-butyl-3-propan-2-yl-1-benzothiophen-2-yl)methyl]propan-2-amine
CID 114377863
N-[(5-tert-butyl-3-methyl-1-benzothiophen-2-yl)methyl]-2-methylpropan-1-amine
CID 81049637
N-[[3-(methoxymethyl)-5-propan-2-yl-1-benzothiophen-2-yl]methyl]propan-1-amine
CID 114378133
N-[(5,6-dimethyl-3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine
CID 114378175
2,3,5-tri(propan-2-yl)-1-benzothiophene
CID 167395930
N-[(3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine
CID 114378013
N-[(5-bromo-3-methyl-1-benzothiophen-2-yl)methyl]propan-1-amine
CID 81049120
N-methyl-1-(3,5,6-trimethyl-1-benzothiophen-2-yl)methanamine
CID 81047775
8-propan-2-ylnaphtho[1,2-b][1]benzothiole
CID 158779749
N-methyl-1-(3-methyl-5-propan-2-yl-1H-indol-2-yl)methanamine
CID 84622421
9,10-dimethyl-2-propan-2-ylphenanthrene
CID 140734876

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-5-propan-2-yl-1-benzothiophen-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[(3-methyl-5-propan-2-yl-1-benzothiophen-2-yl)methyl]propan-2-amine (CID 81049832) is N-[(3-methyl-5-propan-2-yl-1-benzothiophen-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(3-methyl-5-propan-2-yl-1-benzothiophen-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(3-methyl-5-propan-2-yl-1-benzothiophen-2-yl)methyl]propan-2-amine is Cc1c(CNC(C)C)sc2ccc(C(C)C)cc12.
What is the InChIKey of N-[(3-methyl-5-propan-2-yl-1-benzothiophen-2-yl)methyl]propan-2-amine?
The InChIKey is DLKVPCLUNWGDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NS/c1-10(2)13-6-7-15-14(8-13)12(5)16(18-15)9-17-11(3)4/h6-8,10-11,17H,9H2,1-5H3.
What are the key properties of N-[(3-methyl-5-propan-2-yl-1-benzothiophen-2-yl)methyl]propan-2-amine?
N-[(3-methyl-5-propan-2-yl-1-benzothiophen-2-yl)methyl]propan-2-amine has a molecular weight of 261.43 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-5-propan-2-yl-1-benzothiophen-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 81049832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).