N-[1-(2-ethoxyphenyl)ethyl]thiolan-3-amine

C14H21NOS — CID 103779622

IUPACN-[1-(2-ethoxyphenyl)ethyl]thiolan-3-amine
SMILESCCOc1ccccc1C(C)NC1CCSC1
InChIInChI=1S/C14H21NOS/c1-3-16-14-7-5-4-6-13(14)11(2)15-12-8-9-17-10-12/h4-7,11-12,15H,3,8-10H2,1-2H3
InChIKeyBZCJEZALZKVYCY-UHFFFAOYSA-N
MW251.39 g/mol
LogP3.24
Rot. Bonds5

About N-[1-(2-ethoxyphenyl)ethyl]thiolan-3-amine

N-[1-(2-ethoxyphenyl)ethyl]thiolan-3-amine (PubChem CID 103779622) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is N-[1-(2-ethoxyphenyl)ethyl]thiolan-3-amine.

Molecular Properties

Compound NameN-[1-(2-ethoxyphenyl)ethyl]thiolan-3-amine
PubChem CID103779622
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC NameN-[1-(2-ethoxyphenyl)ethyl]thiolan-3-amine
SMILESCCOc1ccccc1C(C)NC1CCSC1
InChIInChI=1S/C14H21NOS/c1-3-16-14-7-5-4-6-13(14)11(2)15-12-8-9-17-10-12/h4-7,11-12,15H,3,8-10H2,1-2H3
InChIKeyBZCJEZALZKVYCY-UHFFFAOYSA-N
XLogP3.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(2-methoxyphenyl)ethyl]thian-3-amine
CID 81397363
N-[1-[2-(difluoromethoxy)phenyl]ethyl]thian-3-amine
CID 55129593
N-[1-(2-ethoxyphenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 103779625
N-(2-ethoxyphenyl)thiolan-3-amine
CID 43191691
N-[1-(2-chlorophenyl)ethyl]thian-3-amine
CID 62873606
N-[1-(2,4-dimethoxyphenyl)ethyl]thiolan-3-amine
CID 43674270
N-[1-(4-propoxyphenyl)ethyl]thiolan-3-amine
CID 103779629
N-[(1R)-1-(2-chlorophenyl)ethyl]thian-4-amine
CID 81376998
N-[1-(4-ethoxyphenyl)ethyl]thian-4-amine
CID 43233377
N-[1-(2-propan-2-yloxyphenyl)ethyl]cyclopropanamine
CID 103439093
2-cyclopropyl-1-(2-ethoxyphenyl)-N-methylpropan-1-amine
CID 115853704
N-[1-(furan-2-yl)ethyl]thiolan-3-amine
CID 43400292

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethoxyphenyl)ethyl]thiolan-3-amine?
The IUPAC name of N-[1-(2-ethoxyphenyl)ethyl]thiolan-3-amine (CID 103779622) is N-[1-(2-ethoxyphenyl)ethyl]thiolan-3-amine.
What is the SMILES notation for N-[1-(2-ethoxyphenyl)ethyl]thiolan-3-amine?
The canonical SMILES for N-[1-(2-ethoxyphenyl)ethyl]thiolan-3-amine is CCOc1ccccc1C(C)NC1CCSC1.
What is the InChIKey of N-[1-(2-ethoxyphenyl)ethyl]thiolan-3-amine?
The InChIKey is BZCJEZALZKVYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-3-16-14-7-5-4-6-13(14)11(2)15-12-8-9-17-10-12/h4-7,11-12,15H,3,8-10H2,1-2H3.
What are the key properties of N-[1-(2-ethoxyphenyl)ethyl]thiolan-3-amine?
N-[1-(2-ethoxyphenyl)ethyl]thiolan-3-amine has a molecular weight of 251.39 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethoxyphenyl)ethyl]thiolan-3-amine is sourced from PubChem (CID 103779622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).