N-[(4-propan-2-yloxyphenyl)methyl]thiolan-3-amine

C14H21NOS — CID 103701618

IUPACN-[(4-propan-2-yloxyphenyl)methyl]thiolan-3-amine
SMILESCC(C)Oc1ccc(CNC2CCSC2)cc1
InChIInChI=1S/C14H21NOS/c1-11(2)16-14-5-3-12(4-6-14)9-15-13-7-8-17-10-13/h3-6,11,13,15H,7-10H2,1-2H3
InChIKeyIRKRWGUTEYNSID-UHFFFAOYSA-N
MW251.40 g/mol
LogP3.07
Rot. Bonds5

About N-[(4-propan-2-yloxyphenyl)methyl]thiolan-3-amine

N-[(4-propan-2-yloxyphenyl)methyl]thiolan-3-amine (PubChem CID 103701618) has the molecular formula C14H21NOS and a molecular weight of 251.40 g/mol. Its IUPAC name is N-[(4-propan-2-yloxyphenyl)methyl]thiolan-3-amine.

Molecular Properties

Compound NameN-[(4-propan-2-yloxyphenyl)methyl]thiolan-3-amine
PubChem CID103701618
Molecular FormulaC14H21NOS
Molecular Weight251.40 g/mol
Exact Mass251.13
IUPAC NameN-[(4-propan-2-yloxyphenyl)methyl]thiolan-3-amine
SMILESCC(C)Oc1ccc(CNC2CCSC2)cc1
InChIInChI=1S/C14H21NOS/c1-11(2)16-14-5-3-12(4-6-14)9-15-13-7-8-17-10-13/h3-6,11,13,15H,7-10H2,1-2H3
InChIKeyIRKRWGUTEYNSID-UHFFFAOYSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-propan-2-yloxyphenyl)methyl]cyclopentanamine
CID 43434812
N-[(4-propoxyphenyl)methyl]thiolan-3-amine
CID 103701552
4-[(4-propan-2-yloxyphenyl)methylamino]cyclohexan-1-ol
CID 43761673
[4-[(thiolan-3-ylamino)methyl]phenyl]methanol
CID 103062820
3,5-dimethyl-N-[(4-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine
CID 64733234
N-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-amine
CID 115118837
methyl 4-[(thiolan-3-ylamino)methyl]benzoate
CID 103923433
N-(2-phenoxypropyl)thiolan-3-amine
CID 115889988
N-[(4-phenylphenyl)methyl]thiolan-3-amine
CID 103701499
1,1-dicyclopropyl-N-[(4-propan-2-yloxyphenyl)methyl]methanamine
CID 43768490
(3S)-N-[(3,4-dimethoxyphenyl)methyl]thiolan-3-amine
CID 28646937
N-[(4-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62702803

Frequently Asked Questions

What is the IUPAC name of N-[(4-propan-2-yloxyphenyl)methyl]thiolan-3-amine?
The IUPAC name of N-[(4-propan-2-yloxyphenyl)methyl]thiolan-3-amine (CID 103701618) is N-[(4-propan-2-yloxyphenyl)methyl]thiolan-3-amine.
What is the SMILES notation for N-[(4-propan-2-yloxyphenyl)methyl]thiolan-3-amine?
The canonical SMILES for N-[(4-propan-2-yloxyphenyl)methyl]thiolan-3-amine is CC(C)Oc1ccc(CNC2CCSC2)cc1.
What is the InChIKey of N-[(4-propan-2-yloxyphenyl)methyl]thiolan-3-amine?
The InChIKey is IRKRWGUTEYNSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-11(2)16-14-5-3-12(4-6-14)9-15-13-7-8-17-10-13/h3-6,11,13,15H,7-10H2,1-2H3.
What are the key properties of N-[(4-propan-2-yloxyphenyl)methyl]thiolan-3-amine?
N-[(4-propan-2-yloxyphenyl)methyl]thiolan-3-amine has a molecular weight of 251.40 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-propan-2-yloxyphenyl)methyl]thiolan-3-amine is sourced from PubChem (CID 103701618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).