N-(2-propan-2-yloxyphenyl)thian-3-amine

C14H21NOS — CID 62871809

IUPACN-(2-propan-2-yloxyphenyl)thian-3-amine
SMILESCC(C)Oc1ccccc1NC1CCCSC1
InChIInChI=1S/C14H21NOS/c1-11(2)16-14-8-4-3-7-13(14)15-12-6-5-9-17-10-12/h3-4,7-8,11-12,15H,5-6,9-10H2,1-2H3
InChIKeyYNQUYCJWYUAKHJ-UHFFFAOYSA-N
MW251.40 g/mol
LogP3.78
Rot. Bonds4

About N-(2-propan-2-yloxyphenyl)thian-3-amine

N-(2-propan-2-yloxyphenyl)thian-3-amine (PubChem CID 62871809) has the molecular formula C14H21NOS and a molecular weight of 251.40 g/mol. Its IUPAC name is N-(2-propan-2-yloxyphenyl)thian-3-amine.

Molecular Properties

Compound NameN-(2-propan-2-yloxyphenyl)thian-3-amine
PubChem CID62871809
Molecular FormulaC14H21NOS
Molecular Weight251.40 g/mol
Exact Mass251.13
IUPAC NameN-(2-propan-2-yloxyphenyl)thian-3-amine
SMILESCC(C)Oc1ccccc1NC1CCCSC1
InChIInChI=1S/C14H21NOS/c1-11(2)16-14-8-4-3-7-13(14)15-12-6-5-9-17-10-12/h3-4,7-8,11-12,15H,5-6,9-10H2,1-2H3
InChIKeyYNQUYCJWYUAKHJ-UHFFFAOYSA-N
XLogP3.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-methyl-4-N-(2-propan-2-yloxyphenyl)cyclohexane-1,4-diamine
CID 117027474
N-(2-ethoxyphenyl)thiolan-3-amine
CID 43191691
N-(3-methoxycyclohexyl)-2-propan-2-yloxyaniline
CID 106871886
(3S)-N-(2-chlorophenyl)thian-3-amine
CID 94885671
2-propan-2-yloxy-N-[4-(trifluoromethyl)cyclohexyl]aniline
CID 64754868
N-(2-propylphenyl)thian-3-amine
CID 62871075
N-(2-propan-2-yloxyphenyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 43739214
[2-(thian-3-ylamino)phenyl]methanol
CID 62873092
N-[2-(trifluoromethylsulfanyl)phenyl]thian-3-amine
CID 62871791
N-[(1S)-1-(2-methoxyphenyl)ethyl]thian-3-amine
CID 81397363
N-(3-fluoro-2-methylphenyl)thian-3-amine
CID 62871831
N-[1-[2-(difluoromethoxy)phenyl]ethyl]thian-3-amine
CID 55129593

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-yloxyphenyl)thian-3-amine?
The IUPAC name of N-(2-propan-2-yloxyphenyl)thian-3-amine (CID 62871809) is N-(2-propan-2-yloxyphenyl)thian-3-amine.
What is the SMILES notation for N-(2-propan-2-yloxyphenyl)thian-3-amine?
The canonical SMILES for N-(2-propan-2-yloxyphenyl)thian-3-amine is CC(C)Oc1ccccc1NC1CCCSC1.
What is the InChIKey of N-(2-propan-2-yloxyphenyl)thian-3-amine?
The InChIKey is YNQUYCJWYUAKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-11(2)16-14-8-4-3-7-13(14)15-12-6-5-9-17-10-12/h3-4,7-8,11-12,15H,5-6,9-10H2,1-2H3.
What are the key properties of N-(2-propan-2-yloxyphenyl)thian-3-amine?
N-(2-propan-2-yloxyphenyl)thian-3-amine has a molecular weight of 251.40 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-yloxyphenyl)thian-3-amine is sourced from PubChem (CID 62871809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).