N-(9,10-dihydroanthracen-9-yl)thiophen-3-amine

C18H15NS — CID 66350154

IUPACN-(9,10-dihydroanthracen-9-yl)thiophen-3-amine
SMILESc1ccc2c(c1)Cc1ccccc1C2Nc1ccsc1
InChIInChI=1S/C18H15NS/c1-3-7-16-13(5-1)11-14-6-2-4-8-17(14)18(16)19-15-9-10-20-12-15/h1-10,12,18-19H,11H2
InChIKeyZKKIAGPBXAHTPN-UHFFFAOYSA-N
MW277.39 g/mol
LogP4.85
Rot. Bonds2

About N-(9,10-dihydroanthracen-9-yl)thiophen-3-amine

N-(9,10-dihydroanthracen-9-yl)thiophen-3-amine (PubChem CID 66350154) has the molecular formula C18H15NS and a molecular weight of 277.39 g/mol. Its IUPAC name is N-(9,10-dihydroanthracen-9-yl)thiophen-3-amine.

Molecular Properties

Compound NameN-(9,10-dihydroanthracen-9-yl)thiophen-3-amine
PubChem CID66350154
Molecular FormulaC18H15NS
Molecular Weight277.39 g/mol
Exact Mass277.09
IUPAC NameN-(9,10-dihydroanthracen-9-yl)thiophen-3-amine
SMILESc1ccc2c(c1)Cc1ccccc1C2Nc1ccsc1
InChIInChI=1S/C18H15NS/c1-3-7-16-13(5-1)11-14-6-2-4-8-17(14)18(16)19-15-9-10-20-12-15/h1-10,12,18-19H,11H2
InChIKeyZKKIAGPBXAHTPN-UHFFFAOYSA-N
XLogP4.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzylthiophen-3-amine
CID 13586588
8-fluoro-N-methyl-3-thiophen-3-ylnaphthalen-1-amine
CID 168162275
N-[(Thiophen-2-yl)methyl]naphthalen-1-amine
CID 225109
2-(Thiophen-2-yl)dihydroquinoline
CID 23526375
N-Methyl-2-(1-(thiophen-3-yl)-3-vinylnaphthalen-2-yl)aniline
CID 139257344
2-(3-ethenyl-1-thiophen-2-ylnaphthalen-2-yl)-N-methylaniline
CID 139257345
N-[(1R)-1-phenyl-2-thiophen-3-ylethyl]aniline
CID 146164681
5-Thia-8-azatetracyclo[13.4.0.02,6.09,14]nonadeca-1(19),2(6),3,9,11,13,15,17-octaene
CID 162419185
N-(deuterio-phenyl-thiophen-2-ylmethyl)aniline
CID 164667899
N-benzyl-4-thiophen-3-ylaniline
CID 177866179
N-[(S)-(3-ethynylthiophen-2-yl)-phenylmethyl]aniline
CID 178251542
N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]aniline
CID 61060965

Frequently Asked Questions

What is the IUPAC name of N-(9,10-dihydroanthracen-9-yl)thiophen-3-amine?
The IUPAC name of N-(9,10-dihydroanthracen-9-yl)thiophen-3-amine (CID 66350154) is N-(9,10-dihydroanthracen-9-yl)thiophen-3-amine.
What is the SMILES notation for N-(9,10-dihydroanthracen-9-yl)thiophen-3-amine?
The canonical SMILES for N-(9,10-dihydroanthracen-9-yl)thiophen-3-amine is c1ccc2c(c1)Cc1ccccc1C2Nc1ccsc1.
What is the InChIKey of N-(9,10-dihydroanthracen-9-yl)thiophen-3-amine?
The InChIKey is ZKKIAGPBXAHTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NS/c1-3-7-16-13(5-1)11-14-6-2-4-8-17(14)18(16)19-15-9-10-20-12-15/h1-10,12,18-19H,11H2.
What are the key properties of N-(9,10-dihydroanthracen-9-yl)thiophen-3-amine?
N-(9,10-dihydroanthracen-9-yl)thiophen-3-amine has a molecular weight of 277.39 g/mol, XLogP of 4.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,10-dihydroanthracen-9-yl)thiophen-3-amine is sourced from PubChem (CID 66350154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).