N-[1-(3-methylthiophen-2-yl)-2-(4-propan-2-ylphenyl)ethyl]propan-1-amine

C19H27NS — CID 115844177

IUPACN-[1-(3-methylthiophen-2-yl)-2-(4-propan-2-ylphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(C(C)C)cc1)c1sccc1C
InChIInChI=1S/C19H27NS/c1-5-11-20-18(19-15(4)10-12-21-19)13-16-6-8-17(9-7-16)14(2)3/h6-10,12,14,18,20H,5,11,13H2,1-4H3
InChIKeyAEKIMKUBFFFIIW-UHFFFAOYSA-N
MW301.50 g/mol
LogP5.46
Rot. Bonds7

About N-[1-(3-methylthiophen-2-yl)-2-(4-propan-2-ylphenyl)ethyl]propan-1-amine

N-[1-(3-methylthiophen-2-yl)-2-(4-propan-2-ylphenyl)ethyl]propan-1-amine (PubChem CID 115844177) has the molecular formula C19H27NS and a molecular weight of 301.50 g/mol. Its IUPAC name is N-[1-(3-methylthiophen-2-yl)-2-(4-propan-2-ylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-methylthiophen-2-yl)-2-(4-propan-2-ylphenyl)ethyl]propan-1-amine
PubChem CID115844177
Molecular FormulaC19H27NS
Molecular Weight301.50 g/mol
Exact Mass301.19
IUPAC NameN-[1-(3-methylthiophen-2-yl)-2-(4-propan-2-ylphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(C(C)C)cc1)c1sccc1C
InChIInChI=1S/C19H27NS/c1-5-11-20-18(19-15(4)10-12-21-19)13-16-6-8-17(9-7-16)14(2)3/h6-10,12,14,18,20H,5,11,13H2,1-4H3
InChIKeyAEKIMKUBFFFIIW-UHFFFAOYSA-N
XLogP5.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.50
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(1-methylpyrazol-4-yl)-1-(3-methylthiophen-2-yl)ethyl]propan-1-amine
CID 115821369
1-(3-bromothiophen-2-yl)-N-ethyl-2-(4-propan-2-ylphenyl)ethanamine
CID 115844263
N-[1-phenyl-2-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 63413063
N-[2-(4-chlorophenyl)-1-(3-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 79976161
N-[1-(5-methylfuran-2-yl)-2-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 115844288
N-[2-ethylsulfanyl-1-(3-methylthiophen-2-yl)ethyl]propan-1-amine
CID 79987744
N-[1-(3-chlorothiophen-2-yl)-2-(4-methoxyphenyl)ethyl]propan-1-amine
CID 80529320
N-[2-(2-chloro-5-fluorophenyl)-1-(3-methylthiophen-2-yl)ethyl]propan-1-amine
CID 102622832
1-(3-methylthiophen-2-yl)-N-propyl-3-pyridin-4-ylpropan-1-amine
CID 105166519
4-methoxy-1-(3-methylthiophen-2-yl)-N-propylbutan-1-amine
CID 79989421
N-[2-cyclobutyl-1-(3-methylthiophen-2-yl)ethyl]propan-1-amine
CID 115863501
N-[1-(3-chlorothiophen-2-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 80645193

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylthiophen-2-yl)-2-(4-propan-2-ylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(3-methylthiophen-2-yl)-2-(4-propan-2-ylphenyl)ethyl]propan-1-amine (CID 115844177) is N-[1-(3-methylthiophen-2-yl)-2-(4-propan-2-ylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-methylthiophen-2-yl)-2-(4-propan-2-ylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-methylthiophen-2-yl)-2-(4-propan-2-ylphenyl)ethyl]propan-1-amine is CCCNC(Cc1ccc(C(C)C)cc1)c1sccc1C.
What is the InChIKey of N-[1-(3-methylthiophen-2-yl)-2-(4-propan-2-ylphenyl)ethyl]propan-1-amine?
The InChIKey is AEKIMKUBFFFIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NS/c1-5-11-20-18(19-15(4)10-12-21-19)13-16-6-8-17(9-7-16)14(2)3/h6-10,12,14,18,20H,5,11,13H2,1-4H3.
What are the key properties of N-[1-(3-methylthiophen-2-yl)-2-(4-propan-2-ylphenyl)ethyl]propan-1-amine?
N-[1-(3-methylthiophen-2-yl)-2-(4-propan-2-ylphenyl)ethyl]propan-1-amine has a molecular weight of 301.50 g/mol, XLogP of 5.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylthiophen-2-yl)-2-(4-propan-2-ylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 115844177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).