N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-thiophen-2-ylpropan-2-amine

C18H23NOS — CID 43783067

IUPACN-[cyclopropyl-(4-methoxyphenyl)methyl]-1-thiophen-2-ylpropan-2-amine
SMILESCOc1ccc(C(NC(C)Cc2cccs2)C2CC2)cc1
InChIInChI=1S/C18H23NOS/c1-13(12-17-4-3-11-21-17)19-18(14-5-6-14)15-7-9-16(20-2)10-8-15/h3-4,7-11,13-14,18-19H,5-6,12H2,1-2H3
InChIKeyXOJWGETYPUEQTP-UHFFFAOYSA-N
MW301.46 g/mol
LogP4.43
Rot. Bonds7

About N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-thiophen-2-ylpropan-2-amine

N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-thiophen-2-ylpropan-2-amine (PubChem CID 43783067) has the molecular formula C18H23NOS and a molecular weight of 301.46 g/mol. Its IUPAC name is N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-thiophen-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[cyclopropyl-(4-methoxyphenyl)methyl]-1-thiophen-2-ylpropan-2-amine
PubChem CID43783067
Molecular FormulaC18H23NOS
Molecular Weight301.46 g/mol
Exact Mass301.15
IUPAC NameN-[cyclopropyl-(4-methoxyphenyl)methyl]-1-thiophen-2-ylpropan-2-amine
SMILESCOc1ccc(C(NC(C)Cc2cccs2)C2CC2)cc1
InChIInChI=1S/C18H23NOS/c1-13(12-17-4-3-11-21-17)19-18(14-5-6-14)15-7-9-16(20-2)10-8-15/h3-4,7-11,13-14,18-19H,5-6,12H2,1-2H3
InChIKeyXOJWGETYPUEQTP-UHFFFAOYSA-N
XLogP4.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)-N-(1-thiophen-2-ylpropan-2-yl)propan-1-amine
CID 43692687
N-[cyclopropyl-(4-methoxyphenyl)methyl]butan-2-amine
CID 43756360
N-[1-(4-propan-2-yloxyphenyl)ethyl]-1-thiophen-2-ylpropan-2-amine
CID 43692689
3-(4-methoxyphenyl)-N-(1-thiophen-2-ylpropan-2-yl)cyclobutan-1-amine
CID 43692803
1-(4-methoxyphenyl)-2-thiophen-2-ylethanol
CID 62501005
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylpentan-3-amine
CID 61468819
(1R)-N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81403675
1-cyclobutyl-N-[cyclopropyl-(4-methoxyphenyl)methyl]ethanamine
CID 115708071
N-propan-2-yl-1-thiophen-2-ylpropan-2-amine
CID 15162973
2-[2-(6-methoxynaphthalen-2-yl)propyl]thiophene
CID 67595197
5-methoxy-2-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]phenol
CID 43692623
N-[cyclopropyl-(4-methoxyphenyl)methyl]hydroxylamine
CID 82684518

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-thiophen-2-ylpropan-2-amine?
The IUPAC name of N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-thiophen-2-ylpropan-2-amine (CID 43783067) is N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-thiophen-2-ylpropan-2-amine.
What is the SMILES notation for N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-thiophen-2-ylpropan-2-amine?
The canonical SMILES for N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-thiophen-2-ylpropan-2-amine is COc1ccc(C(NC(C)Cc2cccs2)C2CC2)cc1.
What is the InChIKey of N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-thiophen-2-ylpropan-2-amine?
The InChIKey is XOJWGETYPUEQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NOS/c1-13(12-17-4-3-11-21-17)19-18(14-5-6-14)15-7-9-16(20-2)10-8-15/h3-4,7-11,13-14,18-19H,5-6,12H2,1-2H3.
What are the key properties of N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-thiophen-2-ylpropan-2-amine?
N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-thiophen-2-ylpropan-2-amine has a molecular weight of 301.46 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-thiophen-2-ylpropan-2-amine is sourced from PubChem (CID 43783067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).