[1-[2-(thietan-3-yloxy)phenyl]cyclopentyl]methanamine

C15H21NOS — CID 117413855

IUPAC[1-[2-(thietan-3-yloxy)phenyl]cyclopentyl]methanamine
SMILESNCC1(c2ccccc2OC2CSC2)CCCC1
InChIInChI=1S/C15H21NOS/c16-11-15(7-3-4-8-15)13-5-1-2-6-14(13)17-12-9-18-10-12/h1-2,5-6,12H,3-4,7-11,16H2
InChIKeyBCFCCXNGXAAJBN-UHFFFAOYSA-N
MW263.41 g/mol
LogP2.95
Rot. Bonds4

About [1-[2-(thietan-3-yloxy)phenyl]cyclopentyl]methanamine

[1-[2-(thietan-3-yloxy)phenyl]cyclopentyl]methanamine (PubChem CID 117413855) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is [1-[2-(thietan-3-yloxy)phenyl]cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-[2-(thietan-3-yloxy)phenyl]cyclopentyl]methanamine
PubChem CID117413855
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC Name[1-[2-(thietan-3-yloxy)phenyl]cyclopentyl]methanamine
SMILESNCC1(c2ccccc2OC2CSC2)CCCC1
InChIInChI=1S/C15H21NOS/c16-11-15(7-3-4-8-15)13-5-1-2-6-14(13)17-12-9-18-10-12/h1-2,5-6,12H,3-4,7-11,16H2
InChIKeyBCFCCXNGXAAJBN-UHFFFAOYSA-N
XLogP2.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[3-methoxy-2-(thietan-3-yloxy)phenyl]cyclobutyl]methanamine
CID 117448428
[1-[2-(oxan-4-yloxy)phenyl]cyclobutyl]methanamine
CID 117408023
[1-[2-(1-methylazetidin-3-yl)oxyphenyl]cyclopropyl]methanamine
CID 117336793
[1-[3-chloro-4-(thietan-3-yloxy)phenyl]cyclohexyl]methanamine
CID 117496547
[2-(thietan-3-yloxy)phenyl]methanamine
CID 83484680
[1-(2-iodophenyl)cyclopentyl]methanamine
CID 70594144
[1-(2-cyclopropyloxy-3-methoxyphenyl)cyclopentyl]methanamine
CID 117407993
[1-[3-methoxy-2-(thian-4-yloxy)phenyl]cyclobutyl]methanamine
CID 117492478
[1-(2-cyclobutyloxy-3-methoxyphenyl)cyclobutyl]methanamine
CID 117408015
[1-(2-fluorophenyl)cyclopentyl]methanamine;hydrochloride
CID 74890008
[1-(2-bromophenyl)cycloheptyl]methanamine
CID 62829513
O-[[2-(thietan-3-yloxy)phenyl]methyl]hydroxylamine
CID 117302057

Frequently Asked Questions

What is the IUPAC name of [1-[2-(thietan-3-yloxy)phenyl]cyclopentyl]methanamine?
The IUPAC name of [1-[2-(thietan-3-yloxy)phenyl]cyclopentyl]methanamine (CID 117413855) is [1-[2-(thietan-3-yloxy)phenyl]cyclopentyl]methanamine.
What is the SMILES notation for [1-[2-(thietan-3-yloxy)phenyl]cyclopentyl]methanamine?
The canonical SMILES for [1-[2-(thietan-3-yloxy)phenyl]cyclopentyl]methanamine is NCC1(c2ccccc2OC2CSC2)CCCC1.
What is the InChIKey of [1-[2-(thietan-3-yloxy)phenyl]cyclopentyl]methanamine?
The InChIKey is BCFCCXNGXAAJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c16-11-15(7-3-4-8-15)13-5-1-2-6-14(13)17-12-9-18-10-12/h1-2,5-6,12H,3-4,7-11,16H2.
What are the key properties of [1-[2-(thietan-3-yloxy)phenyl]cyclopentyl]methanamine?
[1-[2-(thietan-3-yloxy)phenyl]cyclopentyl]methanamine has a molecular weight of 263.41 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(thietan-3-yloxy)phenyl]cyclopentyl]methanamine is sourced from PubChem (CID 117413855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).