(3-ethylthiophen-2-yl)-(3-propan-2-yloxyphenyl)methanamine

C16H21NOS — CID 105018973

IUPAC(3-ethylthiophen-2-yl)-(3-propan-2-yloxyphenyl)methanamine
SMILESCCc1ccsc1C(N)c1cccc(OC(C)C)c1
InChIInChI=1S/C16H21NOS/c1-4-12-8-9-19-16(12)15(17)13-6-5-7-14(10-13)18-11(2)3/h5-11,15H,4,17H2,1-3H3
InChIKeyFUJQFMUEZFPPFO-UHFFFAOYSA-N
MW275.42 g/mol
LogP4.15
Rot. Bonds5

About (3-ethylthiophen-2-yl)-(3-propan-2-yloxyphenyl)methanamine

(3-ethylthiophen-2-yl)-(3-propan-2-yloxyphenyl)methanamine (PubChem CID 105018973) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is (3-ethylthiophen-2-yl)-(3-propan-2-yloxyphenyl)methanamine.

Molecular Properties

Compound Name(3-ethylthiophen-2-yl)-(3-propan-2-yloxyphenyl)methanamine
PubChem CID105018973
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name(3-ethylthiophen-2-yl)-(3-propan-2-yloxyphenyl)methanamine
SMILESCCc1ccsc1C(N)c1cccc(OC(C)C)c1
InChIInChI=1S/C16H21NOS/c1-4-12-8-9-19-16(12)15(17)13-6-5-7-14(10-13)18-11(2)3/h5-11,15H,4,17H2,1-3H3
InChIKeyFUJQFMUEZFPPFO-UHFFFAOYSA-N
XLogP4.15
TPSA35.25 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 ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethylthiophen-2-yl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine
CID 105018995
(3-cyclobutylphenyl)-(3-ethylthiophen-2-yl)methanamine
CID 105053637
(3-ethyl-2-pyridinyl)-(3-propan-2-yloxyphenyl)methanamine
CID 82730762
1-benzothiophen-7-yl-(3-propan-2-yloxyphenyl)methanamine
CID 105021793
(3-ethylthiophen-2-yl)-(4-methylphenyl)methanamine
CID 79985619
(3-methoxythiophen-2-yl)-(3-propan-2-yloxyphenyl)methanol
CID 115824055
(3-cyclopropyloxyphenyl)-(3-ethylthiophen-2-yl)methanol
CID 115838514
(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(3-propan-2-yloxyphenyl)methanamine
CID 61331308
(3-ethylthiophen-2-yl)-(4-phenylphenyl)methanamine
CID 79972493
(4-chloro-3-methoxyphenyl)-(3-ethylthiophen-2-yl)methanamine
CID 105006834
(3-ethylthiophen-2-yl)-thiophen-3-ylmethanamine
CID 104988308
(3-ethylthiophen-2-yl)-[4-(2-methylpropyl)phenyl]methanamine
CID 79985784

Frequently Asked Questions

What is the IUPAC name of (3-ethylthiophen-2-yl)-(3-propan-2-yloxyphenyl)methanamine?
The IUPAC name of (3-ethylthiophen-2-yl)-(3-propan-2-yloxyphenyl)methanamine (CID 105018973) is (3-ethylthiophen-2-yl)-(3-propan-2-yloxyphenyl)methanamine.
What is the SMILES notation for (3-ethylthiophen-2-yl)-(3-propan-2-yloxyphenyl)methanamine?
The canonical SMILES for (3-ethylthiophen-2-yl)-(3-propan-2-yloxyphenyl)methanamine is CCc1ccsc1C(N)c1cccc(OC(C)C)c1.
What is the InChIKey of (3-ethylthiophen-2-yl)-(3-propan-2-yloxyphenyl)methanamine?
The InChIKey is FUJQFMUEZFPPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-4-12-8-9-19-16(12)15(17)13-6-5-7-14(10-13)18-11(2)3/h5-11,15H,4,17H2,1-3H3.
What are the key properties of (3-ethylthiophen-2-yl)-(3-propan-2-yloxyphenyl)methanamine?
(3-ethylthiophen-2-yl)-(3-propan-2-yloxyphenyl)methanamine has a molecular weight of 275.42 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylthiophen-2-yl)-(3-propan-2-yloxyphenyl)methanamine is sourced from PubChem (CID 105018973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).