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

C18H19NOS — CID 63433990

IUPACN-[(3-propan-2-yloxyphenyl)methyl]-1-benzothiophen-5-amine
SMILESCC(C)Oc1cccc(CNc2ccc3sccc3c2)c1
InChIInChI=1S/C18H19NOS/c1-13(2)20-17-5-3-4-14(10-17)12-19-16-6-7-18-15(11-16)8-9-21-18/h3-11,13,19H,12H2,1-2H3
InChIKeyHYTQWWVDUXKPDS-UHFFFAOYSA-N
MW297.42 g/mol
LogP5.30
Rot. Bonds5

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

N-[(3-propan-2-yloxyphenyl)methyl]-1-benzothiophen-5-amine (PubChem CID 63433990) has the molecular formula C18H19NOS and a molecular weight of 297.42 g/mol. Its IUPAC name is N-[(3-propan-2-yloxyphenyl)methyl]-1-benzothiophen-5-amine.

Molecular Properties

Compound NameN-[(3-propan-2-yloxyphenyl)methyl]-1-benzothiophen-5-amine
PubChem CID63433990
Molecular FormulaC18H19NOS
Molecular Weight297.42 g/mol
Exact Mass297.12
IUPAC NameN-[(3-propan-2-yloxyphenyl)methyl]-1-benzothiophen-5-amine
SMILESCC(C)Oc1cccc(CNc2ccc3sccc3c2)c1
InChIInChI=1S/C18H19NOS/c1-13(2)20-17-5-3-4-14(10-17)12-19-16-6-7-18-15(11-16)8-9-21-18/h3-11,13,19H,12H2,1-2H3
InChIKeyHYTQWWVDUXKPDS-UHFFFAOYSA-N
XLogP5.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.42
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]aniline
CID 54796749
3-[(1-benzothiophen-5-ylamino)methyl]benzoic acid
CID 103252357
3-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]aniline
CID 10925650
4-[(1-benzothiophen-5-ylamino)methyl]phenol
CID 43687694
3-N-(1-benzothiophen-5-yl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80740277
(2R)-1-(1-benzothiophen-5-ylamino)propan-2-ol
CID 106932216
1-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]methanamine
CID 39357787
N-[(2-methoxyphenyl)methyl]-1-benzothiophen-5-amine
CID 43687708
N-benzyl-4-propan-2-yloxyaniline
CID 28969524
N-[(3-propan-2-yloxyphenyl)methyl]thiadiazol-5-amine
CID 107649425
N-[(2,4,5-trimethylphenyl)methyl]-1-benzothiophen-5-amine
CID 43781960
N-(4-methylpentyl)-1-benzothiophen-5-amine
CID 83156262

Frequently Asked Questions

What is the IUPAC name of N-[(3-propan-2-yloxyphenyl)methyl]-1-benzothiophen-5-amine?
The IUPAC name of N-[(3-propan-2-yloxyphenyl)methyl]-1-benzothiophen-5-amine (CID 63433990) is N-[(3-propan-2-yloxyphenyl)methyl]-1-benzothiophen-5-amine.
What is the SMILES notation for N-[(3-propan-2-yloxyphenyl)methyl]-1-benzothiophen-5-amine?
The canonical SMILES for N-[(3-propan-2-yloxyphenyl)methyl]-1-benzothiophen-5-amine is CC(C)Oc1cccc(CNc2ccc3sccc3c2)c1.
What is the InChIKey of N-[(3-propan-2-yloxyphenyl)methyl]-1-benzothiophen-5-amine?
The InChIKey is HYTQWWVDUXKPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NOS/c1-13(2)20-17-5-3-4-14(10-17)12-19-16-6-7-18-15(11-16)8-9-21-18/h3-11,13,19H,12H2,1-2H3.
What are the key properties of N-[(3-propan-2-yloxyphenyl)methyl]-1-benzothiophen-5-amine?
N-[(3-propan-2-yloxyphenyl)methyl]-1-benzothiophen-5-amine has a molecular weight of 297.42 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-propan-2-yloxyphenyl)methyl]-1-benzothiophen-5-amine is sourced from PubChem (CID 63433990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).