N-ethyl-2-phenyl-2-(thiophen-2-ylmethyl)butan-1-amine

C17H23NS — CID 62724684

IUPACN-ethyl-2-phenyl-2-(thiophen-2-ylmethyl)butan-1-amine
SMILESCCNCC(CC)(Cc1cccs1)c1ccccc1
InChIInChI=1S/C17H23NS/c1-3-17(14-18-4-2,13-16-11-8-12-19-16)15-9-6-5-7-10-15/h5-12,18H,3-4,13-14H2,1-2H3
InChIKeyJTSMMRGEBUYDOM-UHFFFAOYSA-N
MW273.44 g/mol
LogP4.25
Rot. Bonds7

About N-ethyl-2-phenyl-2-(thiophen-2-ylmethyl)butan-1-amine

N-ethyl-2-phenyl-2-(thiophen-2-ylmethyl)butan-1-amine (PubChem CID 62724684) has the molecular formula C17H23NS and a molecular weight of 273.44 g/mol. Its IUPAC name is N-ethyl-2-phenyl-2-(thiophen-2-ylmethyl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-phenyl-2-(thiophen-2-ylmethyl)butan-1-amine
PubChem CID62724684
Molecular FormulaC17H23NS
Molecular Weight273.44 g/mol
Exact Mass273.16
IUPAC NameN-ethyl-2-phenyl-2-(thiophen-2-ylmethyl)butan-1-amine
SMILESCCNCC(CC)(Cc1cccs1)c1ccccc1
InChIInChI=1S/C17H23NS/c1-3-17(14-18-4-2,13-16-11-8-12-19-16)15-9-6-5-7-10-15/h5-12,18H,3-4,13-14H2,1-2H3
InChIKeyJTSMMRGEBUYDOM-UHFFFAOYSA-N
XLogP4.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.44
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-phenyl-2-(thiophen-2-ylmethyl)butan-1-amine
CID 55107089
2-[2,2-bis(2-methylphenyl)-2-phenylethyl]thiophene;N-ethylethanamine
CID 66628661
2-[3-chloro-2-(chloromethyl)-2-phenylpropyl]thiophene
CID 79447054
2-phenyl-2-(thiophen-2-ylmethyl)propane-1,3-diol
CID 79450575
N,2-diethyl-2-phenyldecan-1-amine
CID 63507626
N-ethyl-2,2-dimethyl-4-thiophen-2-ylbutan-1-amine
CID 63774462
N,2-diethyl-2-phenyl-4-(trifluoromethylsulfanyl)butan-1-amine
CID 116617750
2-ethyl-2-phenyl-N-propylbutan-1-amine
CID 62596576
2-phenyl-N-propyl-2-(thiophen-3-ylmethyl)butan-1-amine
CID 63507962
N,2-diethyl-5-ethylsulfonyl-2-phenylpentan-1-amine
CID 65096866
N-ethyl-2-(oxolan-2-ylmethyl)-2-phenylbutan-1-amine
CID 62724879
N,2-dimethyl-2-(thiophen-2-ylmethyl)butan-1-amine
CID 62725876

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-phenyl-2-(thiophen-2-ylmethyl)butan-1-amine?
The IUPAC name of N-ethyl-2-phenyl-2-(thiophen-2-ylmethyl)butan-1-amine (CID 62724684) is N-ethyl-2-phenyl-2-(thiophen-2-ylmethyl)butan-1-amine.
What is the SMILES notation for N-ethyl-2-phenyl-2-(thiophen-2-ylmethyl)butan-1-amine?
The canonical SMILES for N-ethyl-2-phenyl-2-(thiophen-2-ylmethyl)butan-1-amine is CCNCC(CC)(Cc1cccs1)c1ccccc1.
What is the InChIKey of N-ethyl-2-phenyl-2-(thiophen-2-ylmethyl)butan-1-amine?
The InChIKey is JTSMMRGEBUYDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NS/c1-3-17(14-18-4-2,13-16-11-8-12-19-16)15-9-6-5-7-10-15/h5-12,18H,3-4,13-14H2,1-2H3.
What are the key properties of N-ethyl-2-phenyl-2-(thiophen-2-ylmethyl)butan-1-amine?
N-ethyl-2-phenyl-2-(thiophen-2-ylmethyl)butan-1-amine has a molecular weight of 273.44 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-phenyl-2-(thiophen-2-ylmethyl)butan-1-amine is sourced from PubChem (CID 62724684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).