N-[4-[2-(dimethylamino)ethoxy]phenyl]thian-4-amine

C15H24N2OS — CID 54863930

IUPACN-[4-[2-(dimethylamino)ethoxy]phenyl]thian-4-amine
SMILESCN(C)CCOc1ccc(NC2CCSCC2)cc1
InChIInChI=1S/C15H24N2OS/c1-17(2)9-10-18-15-5-3-13(4-6-15)16-14-7-11-19-12-8-14/h3-6,14,16H,7-12H2,1-2H3
InChIKeyHOMZQZXAZOYDTP-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.93
Rot. Bonds6

About N-[4-[2-(dimethylamino)ethoxy]phenyl]thian-4-amine

N-[4-[2-(dimethylamino)ethoxy]phenyl]thian-4-amine (PubChem CID 54863930) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is N-[4-[2-(dimethylamino)ethoxy]phenyl]thian-4-amine.

Molecular Properties

Compound NameN-[4-[2-(dimethylamino)ethoxy]phenyl]thian-4-amine
PubChem CID54863930
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC NameN-[4-[2-(dimethylamino)ethoxy]phenyl]thian-4-amine
SMILESCN(C)CCOc1ccc(NC2CCSCC2)cc1
InChIInChI=1S/C15H24N2OS/c1-17(2)9-10-18-15-5-3-13(4-6-15)16-14-7-11-19-12-8-14/h3-6,14,16H,7-12H2,1-2H3
InChIKeyHOMZQZXAZOYDTP-UHFFFAOYSA-N
XLogP2.93
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-[4-[2-(dimethylamino)ethoxy]anilino]cyclohexan-1-ol
CID 82539341
4-N-[4-[2-(dimethylamino)ethoxy]phenyl]cyclohexane-1,4-diamine
CID 79731299
4-[2-(dimethylamino)ethoxy]-N-(3-methylcyclobutyl)aniline
CID 104860156
N-(4-ethoxyphenyl)thian-4-amine
CID 43394937
4-[2-(dimethylamino)ethoxy]-N-(3-ethylcyclopentyl)aniline
CID 64502151
N-[4-[(dimethylamino)methyl]phenyl]thian-4-amine
CID 43747361
4-[2-(dimethylamino)ethoxy]-N-(2-methylcyclopentyl)aniline
CID 65046094
4-[2-(dimethylamino)ethoxy]-N-(2-methylcyclohexyl)aniline
CID 60943035
2-[4-(thian-4-ylamino)phenoxy]acetamide
CID 43711231
N,N-dimethyl-4-(thian-4-ylamino)benzamide
CID 43682033
N-[4-(trifluoromethoxy)phenyl]thian-4-amine
CID 43511277
3-(cyclopropylamino)-N-[4-[2-(dimethylamino)ethoxy]phenyl]propanamide
CID 60928327

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(dimethylamino)ethoxy]phenyl]thian-4-amine?
The IUPAC name of N-[4-[2-(dimethylamino)ethoxy]phenyl]thian-4-amine (CID 54863930) is N-[4-[2-(dimethylamino)ethoxy]phenyl]thian-4-amine.
What is the SMILES notation for N-[4-[2-(dimethylamino)ethoxy]phenyl]thian-4-amine?
The canonical SMILES for N-[4-[2-(dimethylamino)ethoxy]phenyl]thian-4-amine is CN(C)CCOc1ccc(NC2CCSCC2)cc1.
What is the InChIKey of N-[4-[2-(dimethylamino)ethoxy]phenyl]thian-4-amine?
The InChIKey is HOMZQZXAZOYDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-17(2)9-10-18-15-5-3-13(4-6-15)16-14-7-11-19-12-8-14/h3-6,14,16H,7-12H2,1-2H3.
What are the key properties of N-[4-[2-(dimethylamino)ethoxy]phenyl]thian-4-amine?
N-[4-[2-(dimethylamino)ethoxy]phenyl]thian-4-amine has a molecular weight of 280.44 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(dimethylamino)ethoxy]phenyl]thian-4-amine is sourced from PubChem (CID 54863930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).