N-[(4-cyclopropyloxyphenyl)-thiophen-2-ylmethyl]ethanamine

C16H19NOS — CID 114519196

IUPACN-[(4-cyclopropyloxyphenyl)-thiophen-2-ylmethyl]ethanamine
SMILESCCNC(c1ccc(OC2CC2)cc1)c1cccs1
InChIInChI=1S/C16H19NOS/c1-2-17-16(15-4-3-11-19-15)12-5-7-13(8-6-12)18-14-9-10-14/h3-8,11,14,16-17H,2,9-10H2,1H3
InChIKeyKRFRSNIYVQSICZ-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.99
Rot. Bonds6

About N-[(4-cyclopropyloxyphenyl)-thiophen-2-ylmethyl]ethanamine

N-[(4-cyclopropyloxyphenyl)-thiophen-2-ylmethyl]ethanamine (PubChem CID 114519196) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is N-[(4-cyclopropyloxyphenyl)-thiophen-2-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(4-cyclopropyloxyphenyl)-thiophen-2-ylmethyl]ethanamine
PubChem CID114519196
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC NameN-[(4-cyclopropyloxyphenyl)-thiophen-2-ylmethyl]ethanamine
SMILESCCNC(c1ccc(OC2CC2)cc1)c1cccs1
InChIInChI=1S/C16H19NOS/c1-2-17-16(15-4-3-11-19-15)12-5-7-13(8-6-12)18-14-9-10-14/h3-8,11,14,16-17H,2,9-10H2,1H3
InChIKeyKRFRSNIYVQSICZ-UHFFFAOYSA-N
XLogP3.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-cyclopropyloxyphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine
CID 105051586
N-[(4-cyclopropyloxyphenyl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 105051409
N-[(4-phenylphenyl)-thiophen-2-ylmethyl]ethanamine
CID 43489570
N-[(4-propylphenyl)-thiophen-2-ylmethyl]ethanamine
CID 43393768
N-[(4-cyclopropyloxyphenyl)-(4-methylthiadiazol-5-yl)methyl]ethanamine
CID 105188445
N-[cyclopropyl-(4-cyclopropyloxyphenyl)methyl]ethanamine
CID 114519282
N-[(4-cyclopropyloxyphenyl)-pyrimidin-4-ylmethyl]ethanamine
CID 114519422
N-[(5-bromo-4-methylthiophen-2-yl)-(3-cyclopropyloxyphenyl)methyl]ethanamine
CID 105051665
N-[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]ethanamine
CID 43416858
N-[(3-cyclopropyloxyphenyl)-pyridin-4-ylmethyl]ethanamine
CID 114521537
(1S)-1-(4-cyclopentyloxyphenyl)-N-ethylethanamine
CID 93007263
N-[(5-methylthiophen-3-yl)-thiophen-2-ylmethyl]ethanamine
CID 65104955

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopropyloxyphenyl)-thiophen-2-ylmethyl]ethanamine?
The IUPAC name of N-[(4-cyclopropyloxyphenyl)-thiophen-2-ylmethyl]ethanamine (CID 114519196) is N-[(4-cyclopropyloxyphenyl)-thiophen-2-ylmethyl]ethanamine.
What is the SMILES notation for N-[(4-cyclopropyloxyphenyl)-thiophen-2-ylmethyl]ethanamine?
The canonical SMILES for N-[(4-cyclopropyloxyphenyl)-thiophen-2-ylmethyl]ethanamine is CCNC(c1ccc(OC2CC2)cc1)c1cccs1.
What is the InChIKey of N-[(4-cyclopropyloxyphenyl)-thiophen-2-ylmethyl]ethanamine?
The InChIKey is KRFRSNIYVQSICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-2-17-16(15-4-3-11-19-15)12-5-7-13(8-6-12)18-14-9-10-14/h3-8,11,14,16-17H,2,9-10H2,1H3.
What are the key properties of N-[(4-cyclopropyloxyphenyl)-thiophen-2-ylmethyl]ethanamine?
N-[(4-cyclopropyloxyphenyl)-thiophen-2-ylmethyl]ethanamine has a molecular weight of 273.40 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclopropyloxyphenyl)-thiophen-2-ylmethyl]ethanamine is sourced from PubChem (CID 114519196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).