N-[(4-cyclopropyloxyphenyl)-(thiolan-3-yl)methyl]ethanamine

C16H23NOS — CID 105188447

IUPACN-[(4-cyclopropyloxyphenyl)-(thiolan-3-yl)methyl]ethanamine
SMILESCCNC(c1ccc(OC2CC2)cc1)C1CCSC1
InChIInChI=1S/C16H23NOS/c1-2-17-16(13-9-10-19-11-13)12-3-5-14(6-4-12)18-15-7-8-15/h3-6,13,15-17H,2,7-11H2,1H3
InChIKeyBRZJJKFJLQPSOK-UHFFFAOYSA-N
MW277.43 g/mol
LogP3.63
Rot. Bonds6

About N-[(4-cyclopropyloxyphenyl)-(thiolan-3-yl)methyl]ethanamine

N-[(4-cyclopropyloxyphenyl)-(thiolan-3-yl)methyl]ethanamine (PubChem CID 105188447) has the molecular formula C16H23NOS and a molecular weight of 277.43 g/mol. Its IUPAC name is N-[(4-cyclopropyloxyphenyl)-(thiolan-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-cyclopropyloxyphenyl)-(thiolan-3-yl)methyl]ethanamine
PubChem CID105188447
Molecular FormulaC16H23NOS
Molecular Weight277.43 g/mol
Exact Mass277.15
IUPAC NameN-[(4-cyclopropyloxyphenyl)-(thiolan-3-yl)methyl]ethanamine
SMILESCCNC(c1ccc(OC2CC2)cc1)C1CCSC1
InChIInChI=1S/C16H23NOS/c1-2-17-16(13-9-10-19-11-13)12-3-5-14(6-4-12)18-15-7-8-15/h3-6,13,15-17H,2,7-11H2,1H3
InChIKeyBRZJJKFJLQPSOK-UHFFFAOYSA-N
XLogP3.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyclopropyl-(4-cyclopropyloxyphenyl)methyl]ethanamine
CID 114519282
N-[(4-cyclopropyloxyphenyl)-(3-methylcyclohexyl)methyl]ethanamine
CID 114519344
N-[(3,4-diethoxyphenyl)-(thiolan-3-yl)methyl]ethanamine
CID 105143428
1-(4-ethoxyphenyl)-N-methyl-1-(thiolan-3-yl)methanamine
CID 105140814
N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]ethanamine
CID 93040874
N-[cyclohexyl-(4-cyclopropyloxyphenyl)methyl]propan-1-amine
CID 114519278
1-(4-cyclopropyloxyphenyl)-N-methyl-2-(thian-4-yl)ethanamine
CID 105188443
N-[(4-cyclopropyloxyphenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine
CID 107191360
[(4-cyclopropyloxyphenyl)-(1,4-dithian-2-yl)methyl]hydrazine
CID 105249218
N-[cyclopropyl-(4-phenoxyphenyl)methyl]ethanamine
CID 43489609
N-[(4-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine
CID 65423233
[(4-propylphenyl)-(thiolan-3-yl)methyl]hydrazine
CID 105303906

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopropyloxyphenyl)-(thiolan-3-yl)methyl]ethanamine?
The IUPAC name of N-[(4-cyclopropyloxyphenyl)-(thiolan-3-yl)methyl]ethanamine (CID 105188447) is N-[(4-cyclopropyloxyphenyl)-(thiolan-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-cyclopropyloxyphenyl)-(thiolan-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-cyclopropyloxyphenyl)-(thiolan-3-yl)methyl]ethanamine is CCNC(c1ccc(OC2CC2)cc1)C1CCSC1.
What is the InChIKey of N-[(4-cyclopropyloxyphenyl)-(thiolan-3-yl)methyl]ethanamine?
The InChIKey is BRZJJKFJLQPSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NOS/c1-2-17-16(13-9-10-19-11-13)12-3-5-14(6-4-12)18-15-7-8-15/h3-6,13,15-17H,2,7-11H2,1H3.
What are the key properties of N-[(4-cyclopropyloxyphenyl)-(thiolan-3-yl)methyl]ethanamine?
N-[(4-cyclopropyloxyphenyl)-(thiolan-3-yl)methyl]ethanamine has a molecular weight of 277.43 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclopropyloxyphenyl)-(thiolan-3-yl)methyl]ethanamine is sourced from PubChem (CID 105188447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).