N-[2-(2-chlorophenoxy)ethyl]thiolan-3-amine

C12H16ClNOS — CID 115895663

IUPACN-[2-(2-chlorophenoxy)ethyl]thiolan-3-amine
SMILESClc1ccccc1OCCNC1CCSC1
InChIInChI=1S/C12H16ClNOS/c13-11-3-1-2-4-12(11)15-7-6-14-10-5-8-16-9-10/h1-4,10,14H,5-9H2
InChIKeyVAKLDTWMPOUYPS-UHFFFAOYSA-N
MW257.79 g/mol
LogP2.81
Rot. Bonds5

About N-[2-(2-chlorophenoxy)ethyl]thiolan-3-amine

N-[2-(2-chlorophenoxy)ethyl]thiolan-3-amine (PubChem CID 115895663) has the molecular formula C12H16ClNOS and a molecular weight of 257.79 g/mol. Its IUPAC name is N-[2-(2-chlorophenoxy)ethyl]thiolan-3-amine.

Molecular Properties

Compound NameN-[2-(2-chlorophenoxy)ethyl]thiolan-3-amine
PubChem CID115895663
Molecular FormulaC12H16ClNOS
Molecular Weight257.79 g/mol
Exact Mass257.06
IUPAC NameN-[2-(2-chlorophenoxy)ethyl]thiolan-3-amine
SMILESClc1ccccc1OCCNC1CCSC1
InChIInChI=1S/C12H16ClNOS/c13-11-3-1-2-4-12(11)15-7-6-14-10-5-8-16-9-10/h1-4,10,14H,5-9H2
InChIKeyVAKLDTWMPOUYPS-UHFFFAOYSA-N
XLogP2.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.79
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-chlorophenyl)ethyl]thiolan-3-amine
CID 115714524
N-[(2-prop-2-ynoxyphenyl)methyl]thiolan-3-amine
CID 103902341
N-[2-(1-benzylindazol-4-yl)oxyethyl]thian-4-amine
CID 20814988
N-[2-(4-chlorophenyl)sulfanylethyl]thiolan-3-amine
CID 115572897
N-(2,6-dichlorophenyl)thiolan-3-amine
CID 65467790
N-[2-(2-chlorophenoxy)ethyl]aniline
CID 19079516
N-[2-(2-methoxyphenyl)ethyl]thian-3-amine
CID 103885574
N-[2-(2-ethoxyphenoxy)ethyl]cyclopropanamine;hydrochloride
CID 117068187
N-[2-(2-chloro-4-methylphenoxy)ethyl]cyclopropanamine
CID 62671091
N-[4-(2,3-dichlorophenoxy)butyl]cyclopropanamine
CID 62451053
[4-[2-(2-chlorophenoxy)ethylamino]piperidin-1-yl]-pyridin-3-ylmethanone
CID 56715372
N'-[2-(2-chlorophenoxy)ethyl]ethane-1,2-diamine
CID 69274969

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenoxy)ethyl]thiolan-3-amine?
The IUPAC name of N-[2-(2-chlorophenoxy)ethyl]thiolan-3-amine (CID 115895663) is N-[2-(2-chlorophenoxy)ethyl]thiolan-3-amine.
What is the SMILES notation for N-[2-(2-chlorophenoxy)ethyl]thiolan-3-amine?
The canonical SMILES for N-[2-(2-chlorophenoxy)ethyl]thiolan-3-amine is Clc1ccccc1OCCNC1CCSC1.
What is the InChIKey of N-[2-(2-chlorophenoxy)ethyl]thiolan-3-amine?
The InChIKey is VAKLDTWMPOUYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNOS/c13-11-3-1-2-4-12(11)15-7-6-14-10-5-8-16-9-10/h1-4,10,14H,5-9H2.
What are the key properties of N-[2-(2-chlorophenoxy)ethyl]thiolan-3-amine?
N-[2-(2-chlorophenoxy)ethyl]thiolan-3-amine has a molecular weight of 257.79 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenoxy)ethyl]thiolan-3-amine is sourced from PubChem (CID 115895663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).