N-[3-(5-ethylthiophen-2-yl)-2-phenylpropyl]-2-methylpropan-2-amine

C19H27NS — CID 65431365

IUPACN-[3-(5-ethylthiophen-2-yl)-2-phenylpropyl]-2-methylpropan-2-amine
SMILESCCc1ccc(CC(CNC(C)(C)C)c2ccccc2)s1
InChIInChI=1S/C19H27NS/c1-5-17-11-12-18(21-17)13-16(14-20-19(2,3)4)15-9-7-6-8-10-15/h6-12,16,20H,5,13-14H2,1-4H3
InChIKeyZMPLHSDKCFVINA-UHFFFAOYSA-N
MW301.50 g/mol
LogP5.02
Rot. Bonds6

About N-[3-(5-ethylthiophen-2-yl)-2-phenylpropyl]-2-methylpropan-2-amine

N-[3-(5-ethylthiophen-2-yl)-2-phenylpropyl]-2-methylpropan-2-amine (PubChem CID 65431365) has the molecular formula C19H27NS and a molecular weight of 301.50 g/mol. Its IUPAC name is N-[3-(5-ethylthiophen-2-yl)-2-phenylpropyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[3-(5-ethylthiophen-2-yl)-2-phenylpropyl]-2-methylpropan-2-amine
PubChem CID65431365
Molecular FormulaC19H27NS
Molecular Weight301.50 g/mol
Exact Mass301.19
IUPAC NameN-[3-(5-ethylthiophen-2-yl)-2-phenylpropyl]-2-methylpropan-2-amine
SMILESCCc1ccc(CC(CNC(C)(C)C)c2ccccc2)s1
InChIInChI=1S/C19H27NS/c1-5-17-11-12-18(21-17)13-16(14-20-19(2,3)4)15-9-7-6-8-10-15/h6-12,16,20H,5,13-14H2,1-4H3
InChIKeyZMPLHSDKCFVINA-UHFFFAOYSA-N
XLogP5.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.50
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-4,4-dimethyl-2-phenylpentan-1-amine
CID 81023928
N-tert-butyl-4-methyl-2-phenylpentan-1-amine
CID 65429499
2-(4-chlorophenyl)-N-ethyl-3-(5-ethylthiophen-2-yl)propan-1-amine
CID 79441550
N-ethyl-3-(5-ethylthiophen-2-yl)-2-(3-methylphenyl)propan-1-amine
CID 79417900
N-[3-(5-bromothiophen-2-yl)-2-(2-methylphenyl)propyl]-2-methylpropan-2-amine
CID 79424142
2-methyl-N-(2-phenyl-3-pyridin-3-ylpropyl)propan-2-amine
CID 81023850
2-(3-chlorophenyl)-3-(5-ethylthiophen-2-yl)-N-propan-2-ylpropan-1-amine
CID 79433672
2-methyl-N-[3-(1-methylimidazol-2-yl)-2-phenylpropyl]propan-2-amine
CID 81024683
4-(5-ethylthiophen-2-yl)-2-phenylbutan-1-amine
CID 81010267
N-tert-butyl-5-methylsulfanyl-2-phenylpentan-1-amine
CID 113474239
N-[2-(3-bromophenyl)-3-(4-bromothiophen-2-yl)propyl]-2-methylpropan-2-amine
CID 79430849
N-[(5-ethylthiophen-2-yl)methyl]-1-phenylpropan-1-amine
CID 62305737

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-ethylthiophen-2-yl)-2-phenylpropyl]-2-methylpropan-2-amine?
The IUPAC name of N-[3-(5-ethylthiophen-2-yl)-2-phenylpropyl]-2-methylpropan-2-amine (CID 65431365) is N-[3-(5-ethylthiophen-2-yl)-2-phenylpropyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[3-(5-ethylthiophen-2-yl)-2-phenylpropyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[3-(5-ethylthiophen-2-yl)-2-phenylpropyl]-2-methylpropan-2-amine is CCc1ccc(CC(CNC(C)(C)C)c2ccccc2)s1.
What is the InChIKey of N-[3-(5-ethylthiophen-2-yl)-2-phenylpropyl]-2-methylpropan-2-amine?
The InChIKey is ZMPLHSDKCFVINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NS/c1-5-17-11-12-18(21-17)13-16(14-20-19(2,3)4)15-9-7-6-8-10-15/h6-12,16,20H,5,13-14H2,1-4H3.
What are the key properties of N-[3-(5-ethylthiophen-2-yl)-2-phenylpropyl]-2-methylpropan-2-amine?
N-[3-(5-ethylthiophen-2-yl)-2-phenylpropyl]-2-methylpropan-2-amine has a molecular weight of 301.50 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-ethylthiophen-2-yl)-2-phenylpropyl]-2-methylpropan-2-amine is sourced from PubChem (CID 65431365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).