N-[1-(4-propan-2-yloxyphenyl)ethyl]-1-thiophen-2-ylpropan-2-amine

C18H25NOS — CID 43692689

IUPACN-[1-(4-propan-2-yloxyphenyl)ethyl]-1-thiophen-2-ylpropan-2-amine
SMILESCC(Cc1cccs1)NC(C)c1ccc(OC(C)C)cc1
InChIInChI=1S/C18H25NOS/c1-13(2)20-17-9-7-16(8-10-17)15(4)19-14(3)12-18-6-5-11-21-18/h5-11,13-15,19H,12H2,1-4H3
InChIKeyBCFGBUCHWLDAFK-UHFFFAOYSA-N
MW303.47 g/mol
LogP4.82
Rot. Bonds7

About N-[1-(4-propan-2-yloxyphenyl)ethyl]-1-thiophen-2-ylpropan-2-amine

N-[1-(4-propan-2-yloxyphenyl)ethyl]-1-thiophen-2-ylpropan-2-amine (PubChem CID 43692689) has the molecular formula C18H25NOS and a molecular weight of 303.47 g/mol. Its IUPAC name is N-[1-(4-propan-2-yloxyphenyl)ethyl]-1-thiophen-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[1-(4-propan-2-yloxyphenyl)ethyl]-1-thiophen-2-ylpropan-2-amine
PubChem CID43692689
Molecular FormulaC18H25NOS
Molecular Weight303.47 g/mol
Exact Mass303.17
IUPAC NameN-[1-(4-propan-2-yloxyphenyl)ethyl]-1-thiophen-2-ylpropan-2-amine
SMILESCC(Cc1cccs1)NC(C)c1ccc(OC(C)C)cc1
InChIInChI=1S/C18H25NOS/c1-13(2)20-17-9-7-16(8-10-17)15(4)19-14(3)12-18-6-5-11-21-18/h5-11,13-15,19H,12H2,1-4H3
InChIKeyBCFGBUCHWLDAFK-UHFFFAOYSA-N
XLogP4.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 54.82
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-propan-2-yl-1-thiophen-2-ylpropan-2-amine
CID 15162973
N-[1-(3-methylphenyl)ethyl]-1-thiophen-2-ylpropan-2-amine
CID 43783062
N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-thiophen-2-ylpropan-2-amine
CID 43783067
5-methoxy-2-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]phenol
CID 43692623
N-[1-(3-methylthiophen-2-yl)ethyl]-1-thiophen-2-ylpropan-2-amine
CID 63993041
3-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]benzonitrile
CID 43783100
1-[4-(difluoromethoxy)phenyl]-N-(2-thiophen-2-ylethyl)ethanamine
CID 43201404
N-(1,2-dithiophen-2-ylethyl)-1-thiophen-2-ylpropan-2-amine
CID 43783115
(3S)-3-(4-propan-2-yloxyphenyl)-3-[(2-thiophen-2-ylacetyl)amino]propanoate
CID 6925632
(3R)-3-(4-propan-2-yloxyphenyl)-3-[(2-thiophen-2-ylacetyl)amino]propanoate
CID 6925629
(1R)-N-methyl-1-(4-propan-2-yloxyphenyl)ethanamine
CID 30049099

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-propan-2-yloxyphenyl)ethyl]-1-thiophen-2-ylpropan-2-amine?
The IUPAC name of N-[1-(4-propan-2-yloxyphenyl)ethyl]-1-thiophen-2-ylpropan-2-amine (CID 43692689) is N-[1-(4-propan-2-yloxyphenyl)ethyl]-1-thiophen-2-ylpropan-2-amine.
What is the SMILES notation for N-[1-(4-propan-2-yloxyphenyl)ethyl]-1-thiophen-2-ylpropan-2-amine?
The canonical SMILES for N-[1-(4-propan-2-yloxyphenyl)ethyl]-1-thiophen-2-ylpropan-2-amine is CC(Cc1cccs1)NC(C)c1ccc(OC(C)C)cc1.
What is the InChIKey of N-[1-(4-propan-2-yloxyphenyl)ethyl]-1-thiophen-2-ylpropan-2-amine?
The InChIKey is BCFGBUCHWLDAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NOS/c1-13(2)20-17-9-7-16(8-10-17)15(4)19-14(3)12-18-6-5-11-21-18/h5-11,13-15,19H,12H2,1-4H3.
What are the key properties of N-[1-(4-propan-2-yloxyphenyl)ethyl]-1-thiophen-2-ylpropan-2-amine?
N-[1-(4-propan-2-yloxyphenyl)ethyl]-1-thiophen-2-ylpropan-2-amine has a molecular weight of 303.47 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-propan-2-yloxyphenyl)ethyl]-1-thiophen-2-ylpropan-2-amine is sourced from PubChem (CID 43692689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).