3-ethyl-1-(5-ethylthiophen-2-yl)-3-phenylpentan-2-amine

C19H27NS — CID 63417545

IUPAC3-ethyl-1-(5-ethylthiophen-2-yl)-3-phenylpentan-2-amine
SMILESCCc1ccc(CC(N)C(CC)(CC)c2ccccc2)s1
InChIInChI=1S/C19H27NS/c1-4-16-12-13-17(21-16)14-18(20)19(5-2,6-3)15-10-8-7-9-11-15/h7-13,18H,4-6,14,20H2,1-3H3
InChIKeyVRKATZAXIKSSQM-UHFFFAOYSA-N
MW301.50 g/mol
LogP4.94
Rot. Bonds7

About 3-ethyl-1-(5-ethylthiophen-2-yl)-3-phenylpentan-2-amine

3-ethyl-1-(5-ethylthiophen-2-yl)-3-phenylpentan-2-amine (PubChem CID 63417545) has the molecular formula C19H27NS and a molecular weight of 301.50 g/mol. Its IUPAC name is 3-ethyl-1-(5-ethylthiophen-2-yl)-3-phenylpentan-2-amine.

Molecular Properties

Compound Name3-ethyl-1-(5-ethylthiophen-2-yl)-3-phenylpentan-2-amine
PubChem CID63417545
Molecular FormulaC19H27NS
Molecular Weight301.50 g/mol
Exact Mass301.19
IUPAC Name3-ethyl-1-(5-ethylthiophen-2-yl)-3-phenylpentan-2-amine
SMILESCCc1ccc(CC(N)C(CC)(CC)c2ccccc2)s1
InChIInChI=1S/C19H27NS/c1-4-16-12-13-17(21-16)14-18(20)19(5-2,6-3)15-10-8-7-9-11-15/h7-13,18H,4-6,14,20H2,1-3H3
InChIKeyVRKATZAXIKSSQM-UHFFFAOYSA-N
XLogP4.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.50
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-ethylthiophen-2-yl)-3,3-dimethylpentan-2-amine
CID 115842630
3-ethyl-1-(4-iodophenyl)-3-phenylpentan-2-amine
CID 65477714
(2S)-3-ethyl-3-phenylpentan-2-amine
CID 64712581
5-ethyl-1,1,1-trifluoro-5-phenylheptan-4-amine
CID 64564957
[1-(5-chlorothiophen-2-yl)-3-ethyl-3-phenylpentan-2-yl]hydrazine
CID 105217759
3-ethyl-3-phenyltricosan-4-amine
CID 21316172
2-(5-ethylthiophen-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 115842275
2-amino-3-(5-ethylthiophen-2-yl)propanamide
CID 64990824
3-ethyl-3-phenylheptadecan-4-amine;hydrochloride
CID 173450724
1-ethoxy-4-ethyl-4-phenylhexan-3-amine
CID 114992855
4-amino-3-ethyl-3-phenylhexanoic acid
CID 66096689
2,5-diethylthiophene
CID 521294

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(5-ethylthiophen-2-yl)-3-phenylpentan-2-amine?
The IUPAC name of 3-ethyl-1-(5-ethylthiophen-2-yl)-3-phenylpentan-2-amine (CID 63417545) is 3-ethyl-1-(5-ethylthiophen-2-yl)-3-phenylpentan-2-amine.
What is the SMILES notation for 3-ethyl-1-(5-ethylthiophen-2-yl)-3-phenylpentan-2-amine?
The canonical SMILES for 3-ethyl-1-(5-ethylthiophen-2-yl)-3-phenylpentan-2-amine is CCc1ccc(CC(N)C(CC)(CC)c2ccccc2)s1.
What is the InChIKey of 3-ethyl-1-(5-ethylthiophen-2-yl)-3-phenylpentan-2-amine?
The InChIKey is VRKATZAXIKSSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NS/c1-4-16-12-13-17(21-16)14-18(20)19(5-2,6-3)15-10-8-7-9-11-15/h7-13,18H,4-6,14,20H2,1-3H3.
What are the key properties of 3-ethyl-1-(5-ethylthiophen-2-yl)-3-phenylpentan-2-amine?
3-ethyl-1-(5-ethylthiophen-2-yl)-3-phenylpentan-2-amine has a molecular weight of 301.50 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(5-ethylthiophen-2-yl)-3-phenylpentan-2-amine is sourced from PubChem (CID 63417545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).