N,N-dimethyl-1-phenyl-4-thiophen-2-ylbut-3-en-1-amine

C16H19NS — CID 139632410

IUPACN,N-dimethyl-1-phenyl-4-thiophen-2-ylbut-3-en-1-amine
SMILESCN(C)C(CC=Cc1cccs1)c1ccccc1
InChIInChI=1S/C16H19NS/c1-17(2)16(14-8-4-3-5-9-14)12-6-10-15-11-7-13-18-15/h3-11,13,16H,12H2,1-2H3
InChIKeySYLRNAJGFNGKFW-UHFFFAOYSA-N
MW257.40 g/mol
LogP4.45
Rot. Bonds5

About N,N-dimethyl-1-phenyl-4-thiophen-2-ylbut-3-en-1-amine

N,N-dimethyl-1-phenyl-4-thiophen-2-ylbut-3-en-1-amine (PubChem CID 139632410) has the molecular formula C16H19NS and a molecular weight of 257.40 g/mol. Its IUPAC name is N,N-dimethyl-1-phenyl-4-thiophen-2-ylbut-3-en-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-phenyl-4-thiophen-2-ylbut-3-en-1-amine
PubChem CID139632410
Molecular FormulaC16H19NS
Molecular Weight257.40 g/mol
Exact Mass257.12
IUPAC NameN,N-dimethyl-1-phenyl-4-thiophen-2-ylbut-3-en-1-amine
SMILESCN(C)C(CC=Cc1cccs1)c1ccccc1
InChIInChI=1S/C16H19NS/c1-17(2)16(14-8-4-3-5-9-14)12-6-10-15-11-7-13-18-15/h3-11,13,16H,12H2,1-2H3
InChIKeySYLRNAJGFNGKFW-UHFFFAOYSA-N
XLogP4.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(Z)-N,N-dimethyl-3-thiophen-2-ylprop-2-en-1-amine
CID 5452261
(2E,5E)-N,N-dimethyl-6-thiophen-2-ylhexa-2,5-dien-1-amine
CID 20603575
1-benzhydryl-4-[(E)-3-thiophen-2-ylprop-2-enyl]piperazine
CID 14947206
2-[(1Z,4Z)-hepta-1,4-dienyl]thiophene
CID 156698517
N,N-dimethyl-2-(4-methylpiperazin-1-yl)-1-phenylethanamine
CID 143114177
2-(dimethylamino)-2-phenyl-5-thiophen-2-ylpent-4-enenitrile
CID 54433898
(1S)-N,N,N',N'-tetramethyl-1-phenylethane-1,2-diamine
CID 134927015
N,N-dimethyl-1-phenylpropan-1-amine;ethane
CID 144553481
2-(4-chlorobut-1-enyl)thiophene
CID 79002392
N-methyl-1-phenyl-N'-propyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62430658
(E)-N-(3,3-diphenylpropyl)-3-thiophen-2-ylprop-2-enamide
CID 887285
N-[2-(dimethylamino)-2-phenylethyl]-4-thiophen-2-ylbutanamide
CID 42886375

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-phenyl-4-thiophen-2-ylbut-3-en-1-amine?
The IUPAC name of N,N-dimethyl-1-phenyl-4-thiophen-2-ylbut-3-en-1-amine (CID 139632410) is N,N-dimethyl-1-phenyl-4-thiophen-2-ylbut-3-en-1-amine.
What is the SMILES notation for N,N-dimethyl-1-phenyl-4-thiophen-2-ylbut-3-en-1-amine?
The canonical SMILES for N,N-dimethyl-1-phenyl-4-thiophen-2-ylbut-3-en-1-amine is CN(C)C(CC=Cc1cccs1)c1ccccc1.
What is the InChIKey of N,N-dimethyl-1-phenyl-4-thiophen-2-ylbut-3-en-1-amine?
The InChIKey is SYLRNAJGFNGKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NS/c1-17(2)16(14-8-4-3-5-9-14)12-6-10-15-11-7-13-18-15/h3-11,13,16H,12H2,1-2H3.
What are the key properties of N,N-dimethyl-1-phenyl-4-thiophen-2-ylbut-3-en-1-amine?
N,N-dimethyl-1-phenyl-4-thiophen-2-ylbut-3-en-1-amine has a molecular weight of 257.40 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-phenyl-4-thiophen-2-ylbut-3-en-1-amine is sourced from PubChem (CID 139632410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).