(4-propan-2-yloxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine

C18H23NOS — CID 43464519

IUPAC(4-propan-2-yloxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine
SMILESCC(C)Oc1ccc(C(N)c2cc3c(s2)CCCC3)cc1
InChIInChI=1S/C18H23NOS/c1-12(2)20-15-9-7-13(8-10-15)18(19)17-11-14-5-3-4-6-16(14)21-17/h7-12,18H,3-6,19H2,1-2H3
InChIKeyHPCVAHDRKSXERO-UHFFFAOYSA-N
MW301.46 g/mol
LogP4.46
Rot. Bonds4

About (4-propan-2-yloxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine

(4-propan-2-yloxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine (PubChem CID 43464519) has the molecular formula C18H23NOS and a molecular weight of 301.46 g/mol. Its IUPAC name is (4-propan-2-yloxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine.

Molecular Properties

Compound Name(4-propan-2-yloxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine
PubChem CID43464519
Molecular FormulaC18H23NOS
Molecular Weight301.46 g/mol
Exact Mass301.15
IUPAC Name(4-propan-2-yloxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine
SMILESCC(C)Oc1ccc(C(N)c2cc3c(s2)CCCC3)cc1
InChIInChI=1S/C18H23NOS/c1-12(2)20-15-9-7-13(8-10-15)18(19)17-11-14-5-3-4-6-16(14)21-17/h7-12,18H,3-6,19H2,1-2H3
InChIKeyHPCVAHDRKSXERO-UHFFFAOYSA-N
XLogP4.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[chloro-(4-propan-2-yloxyphenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene
CID 63432379
(4-butan-2-ylphenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine
CID 43464272
(3-chloro-4-methylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine
CID 107561932
(3,5-dimethylphenyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanamine
CID 115797432
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-methoxy-3-methylphenyl)methanamine
CID 43464848
(3-cyclopropyloxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine
CID 105051653
[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(5-propan-2-yloxy-3-pyridinyl)methyl]hydrazine
CID 105330505
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[3-(trifluoromethoxy)phenyl]methanamine
CID 115854012
5-[amino(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methyl]-1-methyl-3H-indol-2-one
CID 43464497
2-[chloro-(4-ethoxyphenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene
CID 63428614
4,5,6,7-tetrahydro-1-benzothiophen-2-yl-[3-(trifluoromethyl)phenyl]methanamine
CID 115850597
2-[bromo-(4-ethoxyphenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene
CID 63436925

Frequently Asked Questions

What is the IUPAC name of (4-propan-2-yloxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine?
The IUPAC name of (4-propan-2-yloxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine (CID 43464519) is (4-propan-2-yloxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine.
What is the SMILES notation for (4-propan-2-yloxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine?
The canonical SMILES for (4-propan-2-yloxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine is CC(C)Oc1ccc(C(N)c2cc3c(s2)CCCC3)cc1.
What is the InChIKey of (4-propan-2-yloxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine?
The InChIKey is HPCVAHDRKSXERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NOS/c1-12(2)20-15-9-7-13(8-10-15)18(19)17-11-14-5-3-4-6-16(14)21-17/h7-12,18H,3-6,19H2,1-2H3.
What are the key properties of (4-propan-2-yloxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine?
(4-propan-2-yloxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine has a molecular weight of 301.46 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-yloxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine is sourced from PubChem (CID 43464519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).