N-[1-(5-methylthiophen-2-yl)ethyl]-4-phenylaniline

C19H19NS — CID 43716871

IUPACN-[1-(5-methylthiophen-2-yl)ethyl]-4-phenylaniline
SMILESCc1ccc(C(C)Nc2ccc(-c3ccccc3)cc2)s1
InChIInChI=1S/C19H19NS/c1-14-8-13-19(21-14)15(2)20-18-11-9-17(10-12-18)16-6-4-3-5-7-16/h3-13,15,20H,1-2H3
InChIKeyHPVVBNTYZWFQNZ-UHFFFAOYSA-N
MW293.44 g/mol
LogP5.90
Rot. Bonds4

About N-[1-(5-methylthiophen-2-yl)ethyl]-4-phenylaniline

N-[1-(5-methylthiophen-2-yl)ethyl]-4-phenylaniline (PubChem CID 43716871) has the molecular formula C19H19NS and a molecular weight of 293.44 g/mol. Its IUPAC name is N-[1-(5-methylthiophen-2-yl)ethyl]-4-phenylaniline.

Molecular Properties

Compound NameN-[1-(5-methylthiophen-2-yl)ethyl]-4-phenylaniline
PubChem CID43716871
Molecular FormulaC19H19NS
Molecular Weight293.44 g/mol
Exact Mass293.12
IUPAC NameN-[1-(5-methylthiophen-2-yl)ethyl]-4-phenylaniline
SMILESCc1ccc(C(C)Nc2ccc(-c3ccccc3)cc2)s1
InChIInChI=1S/C19H19NS/c1-14-8-13-19(21-14)15(2)20-18-11-9-17(10-12-18)16-6-4-3-5-7-16/h3-13,15,20H,1-2H3
InChIKeyHPVVBNTYZWFQNZ-UHFFFAOYSA-N
XLogP5.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.44
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 43194697
4-(2-methyl-1,3-thiazol-4-yl)-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 43097732
4-(difluoromethylsulfonyl)-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 43683889
N-[4-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]ethanesulfonamide
CID 60932015
1-methyl-3-[4-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]urea
CID 43744393
4-methyl-1-N-[1-(5-methylthiophen-2-yl)ethyl]benzene-1,3-diamine
CID 62911996
4-fluoro-3-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 62810732
N-[1-(5-methylthiophen-2-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline
CID 60935914
3-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 43196418
2-[4-[1-(5-methylthiophen-2-yl)ethylamino]phenoxy]acetamide
CID 43711136
N-[1-(5-methylthiophen-2-yl)ethyl]-3-(trifluoromethyl)aniline
CID 43095809
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-phenylaniline
CID 43716894

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methylthiophen-2-yl)ethyl]-4-phenylaniline?
The IUPAC name of N-[1-(5-methylthiophen-2-yl)ethyl]-4-phenylaniline (CID 43716871) is N-[1-(5-methylthiophen-2-yl)ethyl]-4-phenylaniline.
What is the SMILES notation for N-[1-(5-methylthiophen-2-yl)ethyl]-4-phenylaniline?
The canonical SMILES for N-[1-(5-methylthiophen-2-yl)ethyl]-4-phenylaniline is Cc1ccc(C(C)Nc2ccc(-c3ccccc3)cc2)s1.
What is the InChIKey of N-[1-(5-methylthiophen-2-yl)ethyl]-4-phenylaniline?
The InChIKey is HPVVBNTYZWFQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NS/c1-14-8-13-19(21-14)15(2)20-18-11-9-17(10-12-18)16-6-4-3-5-7-16/h3-13,15,20H,1-2H3.
What are the key properties of N-[1-(5-methylthiophen-2-yl)ethyl]-4-phenylaniline?
N-[1-(5-methylthiophen-2-yl)ethyl]-4-phenylaniline has a molecular weight of 293.44 g/mol, XLogP of 5.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methylthiophen-2-yl)ethyl]-4-phenylaniline is sourced from PubChem (CID 43716871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).