1-(5-chlorothiophen-2-yl)-2-phenylbutan-2-amine

C14H16ClNS — CID 62619974

IUPAC1-(5-chlorothiophen-2-yl)-2-phenylbutan-2-amine
SMILESCCC(N)(Cc1ccc(Cl)s1)c1ccccc1
InChIInChI=1S/C14H16ClNS/c1-2-14(16,11-6-4-3-5-7-11)10-12-8-9-13(15)17-12/h3-9H,2,10,16H2,1H3
InChIKeyQQZRZSSLRQMGPI-UHFFFAOYSA-N
MW265.81 g/mol
LogP4.21
Rot. Bonds4

About 1-(5-chlorothiophen-2-yl)-2-phenylbutan-2-amine

1-(5-chlorothiophen-2-yl)-2-phenylbutan-2-amine (PubChem CID 62619974) has the molecular formula C14H16ClNS and a molecular weight of 265.81 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-phenylbutan-2-amine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-phenylbutan-2-amine
PubChem CID62619974
Molecular FormulaC14H16ClNS
Molecular Weight265.81 g/mol
Exact Mass265.07
IUPAC Name1-(5-chlorothiophen-2-yl)-2-phenylbutan-2-amine
SMILESCCC(N)(Cc1ccc(Cl)s1)c1ccccc1
InChIInChI=1S/C14H16ClNS/c1-2-14(16,11-6-4-3-5-7-11)10-12-8-9-13(15)17-12/h3-9H,2,10,16H2,1H3
InChIKeyQQZRZSSLRQMGPI-UHFFFAOYSA-N
XLogP4.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.81
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-phenylhexan-3-amine
CID 60794511
3-phenylpentan-3-amine;2-phenylpropan-2-amine
CID 67930723
2-[(5-chlorothiophen-2-yl)methyl]-2-fluorobutan-1-amine
CID 112566022
[1-(5-chlorothiophen-2-yl)-3-ethyl-3-phenylpentan-2-yl]hydrazine
CID 105217759
(3R)-3-amino-3-phenylpentan-1-ol
CID 124509326
2-(3-bromophenyl)-1-(5-chlorothiophen-2-yl)propan-2-amine
CID 55096110
2-(aminomethyl)-2-[(5-chlorothiophen-2-yl)methyl]butan-1-ol
CID 106508322
2-phenyl-1-(2,4,6-trimethylphenyl)butan-2-amine
CID 63408240
1-(2,5-dimethylphenyl)-2-phenylbutan-2-amine
CID 61481647
2-chloro-5-(2-ethyl-2-methylheptyl)thiophene
CID 130455839
3-(5-chlorothiophen-2-yl)-2,2-dimethylpropan-1-ol
CID 66025156
[1-(5-chlorothiophen-2-yl)-2-ethyl-2-phenylbutyl]hydrazine
CID 105217739

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-phenylbutan-2-amine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-phenylbutan-2-amine (CID 62619974) is 1-(5-chlorothiophen-2-yl)-2-phenylbutan-2-amine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-phenylbutan-2-amine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-phenylbutan-2-amine is CCC(N)(Cc1ccc(Cl)s1)c1ccccc1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-phenylbutan-2-amine?
The InChIKey is QQZRZSSLRQMGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNS/c1-2-14(16,11-6-4-3-5-7-11)10-12-8-9-13(15)17-12/h3-9H,2,10,16H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-phenylbutan-2-amine?
1-(5-chlorothiophen-2-yl)-2-phenylbutan-2-amine has a molecular weight of 265.81 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-phenylbutan-2-amine is sourced from PubChem (CID 62619974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).