1-[1-[3-chloro-4-(thiolan-3-yloxy)phenyl]cyclopropyl]ethanamine

C15H20ClNOS — CID 117479613

IUPAC1-[1-[3-chloro-4-(thiolan-3-yloxy)phenyl]cyclopropyl]ethanamine
SMILESCC(N)C1(c2ccc(OC3CCSC3)c(Cl)c2)CC1
InChIInChI=1S/C15H20ClNOS/c1-10(17)15(5-6-15)11-2-3-14(13(16)8-11)18-12-4-7-19-9-12/h2-3,8,10,12H,4-7,9,17H2,1H3
InChIKeyNQRPSPSCXATBOZ-UHFFFAOYSA-N
MW297.85 g/mol
LogP3.60
Rot. Bonds4

About 1-[1-[3-chloro-4-(thiolan-3-yloxy)phenyl]cyclopropyl]ethanamine

1-[1-[3-chloro-4-(thiolan-3-yloxy)phenyl]cyclopropyl]ethanamine (PubChem CID 117479613) has the molecular formula C15H20ClNOS and a molecular weight of 297.85 g/mol. Its IUPAC name is 1-[1-[3-chloro-4-(thiolan-3-yloxy)phenyl]cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-[3-chloro-4-(thiolan-3-yloxy)phenyl]cyclopropyl]ethanamine
PubChem CID117479613
Molecular FormulaC15H20ClNOS
Molecular Weight297.85 g/mol
Exact Mass297.10
IUPAC Name1-[1-[3-chloro-4-(thiolan-3-yloxy)phenyl]cyclopropyl]ethanamine
SMILESCC(N)C1(c2ccc(OC3CCSC3)c(Cl)c2)CC1
InChIInChI=1S/C15H20ClNOS/c1-10(17)15(5-6-15)11-2-3-14(13(16)8-11)18-12-4-7-19-9-12/h2-3,8,10,12H,4-7,9,17H2,1H3
InChIKeyNQRPSPSCXATBOZ-UHFFFAOYSA-N
XLogP3.60
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.85
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-chloro-4-(thiolan-3-yloxy)phenyl]cyclopropan-1-ol
CID 117430121
1-[1-[4-(thian-3-yloxy)phenyl]cyclopropyl]ethanamine
CID 117445027
2-[3-chloro-4-(thiolan-3-yloxy)phenyl]propan-1-ol
CID 117434756
1-[3-chloro-4-(thiolan-3-yloxy)phenyl]propan-2-ol
CID 115005752
1-[3-chloro-4-(thian-3-yloxy)phenyl]propan-2-amine
CID 117460477
1-[1-[3-methoxy-2-(thiolan-3-yloxy)phenyl]cyclopropyl]ethanamine
CID 117473681
4-[3-chloro-4-(thiolan-3-yloxy)phenyl]butan-1-amine
CID 117460472
1-[1-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropyl]ethanamine
CID 117489876
[1-[3-chloro-4-(thietan-3-yloxy)phenyl]cyclohexyl]methanamine
CID 117496547
1-[4-methoxy-3-(thiolan-3-yloxy)phenyl]propan-2-amine
CID 117422381
1-[1-[3-(difluoromethyl)-4-methoxyphenyl]cyclopropyl]ethanamine
CID 117355047
2-[3-methoxy-4-(thiolan-3-yloxy)phenyl]propan-1-amine
CID 117422309

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-chloro-4-(thiolan-3-yloxy)phenyl]cyclopropyl]ethanamine?
The IUPAC name of 1-[1-[3-chloro-4-(thiolan-3-yloxy)phenyl]cyclopropyl]ethanamine (CID 117479613) is 1-[1-[3-chloro-4-(thiolan-3-yloxy)phenyl]cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-[3-chloro-4-(thiolan-3-yloxy)phenyl]cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-[3-chloro-4-(thiolan-3-yloxy)phenyl]cyclopropyl]ethanamine is CC(N)C1(c2ccc(OC3CCSC3)c(Cl)c2)CC1.
What is the InChIKey of 1-[1-[3-chloro-4-(thiolan-3-yloxy)phenyl]cyclopropyl]ethanamine?
The InChIKey is NQRPSPSCXATBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNOS/c1-10(17)15(5-6-15)11-2-3-14(13(16)8-11)18-12-4-7-19-9-12/h2-3,8,10,12H,4-7,9,17H2,1H3.
What are the key properties of 1-[1-[3-chloro-4-(thiolan-3-yloxy)phenyl]cyclopropyl]ethanamine?
1-[1-[3-chloro-4-(thiolan-3-yloxy)phenyl]cyclopropyl]ethanamine has a molecular weight of 297.85 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-chloro-4-(thiolan-3-yloxy)phenyl]cyclopropyl]ethanamine is sourced from PubChem (CID 117479613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).