N-[2-(1-phenylethoxy)ethyl]-1-thiophen-2-ylethanamine

C16H21NOS — CID 55088199

IUPACN-[2-(1-phenylethoxy)ethyl]-1-thiophen-2-ylethanamine
SMILESCC(NCCOC(C)c1ccccc1)c1cccs1
InChIInChI=1S/C16H21NOS/c1-13(16-9-6-12-19-16)17-10-11-18-14(2)15-7-4-3-5-8-15/h3-9,12-14,17H,10-11H2,1-2H3
InChIKeyZJPPWPCOJMPRAS-UHFFFAOYSA-N
MW275.42 g/mol
LogP4.18
Rot. Bonds7

About N-[2-(1-phenylethoxy)ethyl]-1-thiophen-2-ylethanamine

N-[2-(1-phenylethoxy)ethyl]-1-thiophen-2-ylethanamine (PubChem CID 55088199) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is N-[2-(1-phenylethoxy)ethyl]-1-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[2-(1-phenylethoxy)ethyl]-1-thiophen-2-ylethanamine
PubChem CID55088199
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC NameN-[2-(1-phenylethoxy)ethyl]-1-thiophen-2-ylethanamine
SMILESCC(NCCOC(C)c1ccccc1)c1cccs1
InChIInChI=1S/C16H21NOS/c1-13(16-9-6-12-19-16)17-10-11-18-14(2)15-7-4-3-5-8-15/h3-9,12-14,17H,10-11H2,1-2H3
InChIKeyZJPPWPCOJMPRAS-UHFFFAOYSA-N
XLogP4.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Ulotaront
CID 89532783
Benzenemethanol, alpha-(1-((3,3-di-3-thienyl-2-propenyl)amino)ethyl)-, (R-(R*,S*))-
CID 3033341
1-Phenyl-2-[(thiophen-2-ylmethyl)-amino]-ethanol
CID 2809735
2-[(5-Methyl-thiophen-2-ylmethyl)-amino]-1-phenyl-ethanol
CID 6461664
N-benzyl-1-(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)methanamine
CID 25164277
(1'-Benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)methanamine
CID 25167291
methyl({[(4R)-4H,6H,7H-thieno[3,2-c]pyran-4-yl]methyl})amine
CID 53237585
(Rac)-SEP-363856
CID 68335002
1-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-methylmethanamine
CID 89532773
Ulotaront Hydrochloride
CID 139415154
1-[2-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-1-thiophen-2-ylethyl]piperazine
CID 44358247
(3S,6S)-6-Benzhydryl-N-(thiophen-2-ylmethyl)tetrahydro-2H-pyran-3-amine
CID 46869266

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-phenylethoxy)ethyl]-1-thiophen-2-ylethanamine?
The IUPAC name of N-[2-(1-phenylethoxy)ethyl]-1-thiophen-2-ylethanamine (CID 55088199) is N-[2-(1-phenylethoxy)ethyl]-1-thiophen-2-ylethanamine.
What is the SMILES notation for N-[2-(1-phenylethoxy)ethyl]-1-thiophen-2-ylethanamine?
The canonical SMILES for N-[2-(1-phenylethoxy)ethyl]-1-thiophen-2-ylethanamine is CC(NCCOC(C)c1ccccc1)c1cccs1.
What is the InChIKey of N-[2-(1-phenylethoxy)ethyl]-1-thiophen-2-ylethanamine?
The InChIKey is ZJPPWPCOJMPRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-13(16-9-6-12-19-16)17-10-11-18-14(2)15-7-4-3-5-8-15/h3-9,12-14,17H,10-11H2,1-2H3.
What are the key properties of N-[2-(1-phenylethoxy)ethyl]-1-thiophen-2-ylethanamine?
N-[2-(1-phenylethoxy)ethyl]-1-thiophen-2-ylethanamine has a molecular weight of 275.42 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-phenylethoxy)ethyl]-1-thiophen-2-ylethanamine is sourced from PubChem (CID 55088199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).