1-[4-[(5-ethylthiophen-2-yl)methoxy]-3,5-dimethylphenyl]propan-2-amine

C18H25NOS — CID 63421033

IUPAC1-[4-[(5-ethylthiophen-2-yl)methoxy]-3,5-dimethylphenyl]propan-2-amine
SMILESCCc1ccc(COc2c(C)cc(CC(C)N)cc2C)s1
InChIInChI=1S/C18H25NOS/c1-5-16-6-7-17(21-16)11-20-18-12(2)8-15(9-13(18)3)10-14(4)19/h6-9,14H,5,10-11,19H2,1-4H3
InChIKeyZJQXPDOSYIVLEZ-UHFFFAOYSA-N
MW303.47 g/mol
LogP4.40
Rot. Bonds6

About 1-[4-[(5-ethylthiophen-2-yl)methoxy]-3,5-dimethylphenyl]propan-2-amine

1-[4-[(5-ethylthiophen-2-yl)methoxy]-3,5-dimethylphenyl]propan-2-amine (PubChem CID 63421033) has the molecular formula C18H25NOS and a molecular weight of 303.47 g/mol. Its IUPAC name is 1-[4-[(5-ethylthiophen-2-yl)methoxy]-3,5-dimethylphenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-[(5-ethylthiophen-2-yl)methoxy]-3,5-dimethylphenyl]propan-2-amine
PubChem CID63421033
Molecular FormulaC18H25NOS
Molecular Weight303.47 g/mol
Exact Mass303.17
IUPAC Name1-[4-[(5-ethylthiophen-2-yl)methoxy]-3,5-dimethylphenyl]propan-2-amine
SMILESCCc1ccc(COc2c(C)cc(CC(C)N)cc2C)s1
InChIInChI=1S/C18H25NOS/c1-5-16-6-7-17(21-16)11-20-18-12(2)8-15(9-13(18)3)10-14(4)19/h6-9,14H,5,10-11,19H2,1-4H3
InChIKeyZJQXPDOSYIVLEZ-UHFFFAOYSA-N
XLogP4.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-bromo-2-[(5-ethylthiophen-2-yl)methoxy]phenyl]propan-2-amine
CID 61392036
1-(4-butoxy-3,5-dimethylphenyl)propan-2-amine
CID 54930520
1-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3,5-dimethylphenyl]propan-2-amine
CID 61484586
1-(4-hexoxy-3,5-dimethylphenyl)propan-2-amine
CID 63420985
4-[4-[(5-ethylthiophen-2-yl)methoxy]phenyl]butan-2-amine
CID 60878632
(1R)-1-[3-[(5-ethylthiophen-2-yl)methoxy]phenyl]ethanamine
CID 55190446
1-[3,5-dimethyl-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]propan-2-amine
CID 82878160
1-[3,5-dimethyl-4-(thiophen-2-ylmethoxy)phenyl]butan-2-amine
CID 60907942
[4-[(5-bromothiophen-2-yl)methoxy]-3,5-dimethylphenyl]methanamine
CID 60880164
1-[4-(cyclopentylmethoxy)-3,5-dimethylphenyl]propan-2-amine
CID 61342285
1-[2-[(5-ethylthiophen-2-yl)methoxy]-4-methylphenyl]ethanamine
CID 63640101
1-[3,5-dimethyl-4-(2-methylprop-2-enoxy)phenyl]propan-2-amine
CID 54930474

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-ethylthiophen-2-yl)methoxy]-3,5-dimethylphenyl]propan-2-amine?
The IUPAC name of 1-[4-[(5-ethylthiophen-2-yl)methoxy]-3,5-dimethylphenyl]propan-2-amine (CID 63421033) is 1-[4-[(5-ethylthiophen-2-yl)methoxy]-3,5-dimethylphenyl]propan-2-amine.
What is the SMILES notation for 1-[4-[(5-ethylthiophen-2-yl)methoxy]-3,5-dimethylphenyl]propan-2-amine?
The canonical SMILES for 1-[4-[(5-ethylthiophen-2-yl)methoxy]-3,5-dimethylphenyl]propan-2-amine is CCc1ccc(COc2c(C)cc(CC(C)N)cc2C)s1.
What is the InChIKey of 1-[4-[(5-ethylthiophen-2-yl)methoxy]-3,5-dimethylphenyl]propan-2-amine?
The InChIKey is ZJQXPDOSYIVLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NOS/c1-5-16-6-7-17(21-16)11-20-18-12(2)8-15(9-13(18)3)10-14(4)19/h6-9,14H,5,10-11,19H2,1-4H3.
What are the key properties of 1-[4-[(5-ethylthiophen-2-yl)methoxy]-3,5-dimethylphenyl]propan-2-amine?
1-[4-[(5-ethylthiophen-2-yl)methoxy]-3,5-dimethylphenyl]propan-2-amine has a molecular weight of 303.47 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-ethylthiophen-2-yl)methoxy]-3,5-dimethylphenyl]propan-2-amine is sourced from PubChem (CID 63421033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).