(1R)-1-(3-methoxyphenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine

C16H21NOS — CID 81376210

IUPAC(1R)-1-(3-methoxyphenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine
SMILESCOc1cccc([C@@H](C)NC(C)c2ccc(C)s2)c1
InChIInChI=1S/C16H21NOS/c1-11-8-9-16(19-11)13(3)17-12(2)14-6-5-7-15(10-14)18-4/h5-10,12-13,17H,1-4H3/t12-,13?/m1/s1
InChIKeyOVQBPPDPNXECDJ-PZORYLMUSA-N
MW275.42 g/mol
LogP4.48
Rot. Bonds5

About (1R)-1-(3-methoxyphenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine

(1R)-1-(3-methoxyphenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine (PubChem CID 81376210) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is (1R)-1-(3-methoxyphenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(3-methoxyphenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine
PubChem CID81376210
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name(1R)-1-(3-methoxyphenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine
SMILESCOc1cccc([C@@H](C)NC(C)c2ccc(C)s2)c1
InChIInChI=1S/C16H21NOS/c1-11-8-9-16(19-11)13(3)17-12(2)14-6-5-7-15(10-14)18-4/h5-10,12-13,17H,1-4H3/t12-,13?/m1/s1
InChIKeyOVQBPPDPNXECDJ-PZORYLMUSA-N
XLogP4.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 81375983
3-[1-[1-(5-methylthiophen-2-yl)ethylamino]ethyl]phenol
CID 43748540
3-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 43196418
N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-(4-methylphenyl)ethanamine
CID 81376233
(1R)-N-[1-(4-bromothiophen-2-yl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 107354466
1-(3-methoxyphenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine
CID 113260329
(1S)-N-[(1S)-1-(3-bromophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 93318712
(1S)-N-[(1R)-1-(3-bromophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 93318714
N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine
CID 81354846
1-(3-methoxyphenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine
CID 81374819
(1R)-1-(3-methoxyphenyl)-N-[1-(2-methylphenyl)ethyl]ethanamine
CID 81376128
4-[1-[1-(3-methoxyphenyl)ethylamino]ethyl]phenol
CID 60944294

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-methoxyphenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine?
The IUPAC name of (1R)-1-(3-methoxyphenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine (CID 81376210) is (1R)-1-(3-methoxyphenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine.
What is the SMILES notation for (1R)-1-(3-methoxyphenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine?
The canonical SMILES for (1R)-1-(3-methoxyphenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine is COc1cccc([C@@H](C)NC(C)c2ccc(C)s2)c1.
What is the InChIKey of (1R)-1-(3-methoxyphenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine?
The InChIKey is OVQBPPDPNXECDJ-PZORYLMUSA-N. The full InChI is InChI=1S/C16H21NOS/c1-11-8-9-16(19-11)13(3)17-12(2)14-6-5-7-15(10-14)18-4/h5-10,12-13,17H,1-4H3/t12-,13?/m1/s1.
What are the key properties of (1R)-1-(3-methoxyphenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine?
(1R)-1-(3-methoxyphenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine has a molecular weight of 275.42 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-methoxyphenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine is sourced from PubChem (CID 81376210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).