N-[(4-chlorothiophen-2-yl)methyl]-1-ethoxypropan-2-amine

C10H16ClNOS — CID 79420004

IUPACN-[(4-chlorothiophen-2-yl)methyl]-1-ethoxypropan-2-amine
SMILESCCOCC(C)NCc1cc(Cl)cs1
InChIInChI=1S/C10H16ClNOS/c1-3-13-6-8(2)12-5-10-4-9(11)7-14-10/h4,7-8,12H,3,5-6H2,1-2H3
InChIKeyKKSPDCYHDLLPCG-UHFFFAOYSA-N
MW233.76 g/mol
LogP2.92
Rot. Bonds6

About N-[(4-chlorothiophen-2-yl)methyl]-1-ethoxypropan-2-amine

N-[(4-chlorothiophen-2-yl)methyl]-1-ethoxypropan-2-amine (PubChem CID 79420004) has the molecular formula C10H16ClNOS and a molecular weight of 233.76 g/mol. Its IUPAC name is N-[(4-chlorothiophen-2-yl)methyl]-1-ethoxypropan-2-amine.

Molecular Properties

Compound NameN-[(4-chlorothiophen-2-yl)methyl]-1-ethoxypropan-2-amine
PubChem CID79420004
Molecular FormulaC10H16ClNOS
Molecular Weight233.76 g/mol
Exact Mass233.06
IUPAC NameN-[(4-chlorothiophen-2-yl)methyl]-1-ethoxypropan-2-amine
SMILESCCOCC(C)NCc1cc(Cl)cs1
InChIInChI=1S/C10H16ClNOS/c1-3-13-6-8(2)12-5-10-4-9(11)7-14-10/h4,7-8,12H,3,5-6H2,1-2H3
InChIKeyKKSPDCYHDLLPCG-UHFFFAOYSA-N
XLogP2.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.76
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorothiophen-2-yl)methyl]-1-(4-methylphenoxy)propan-2-amine
CID 79420610
N-[(4-bromothiophen-2-yl)methyl]-1-ethoxy-3-methylbutan-2-amine
CID 103271033
(1R)-1-(4-chlorophenyl)-N-[(4-chlorothiophen-2-yl)methyl]ethanamine
CID 81352477
N-[(4-chlorothiophen-2-yl)methyl]-1-(2,6-difluorophenyl)propan-2-amine
CID 79420256
N-[(4-chlorothiophen-2-yl)methyl]-2,2-diethoxyethanamine
CID 79548478
N-[(4-chlorothiophen-2-yl)methyl]-1-(4-ethylphenyl)ethanamine
CID 79419624
N-(1-ethoxypropan-2-yl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106054219
N-[(4-chlorothiophen-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 79427378
1-ethoxy-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 115729314
N-[(4-chlorothiophen-2-yl)methyl]-1-thiophen-2-ylethanamine
CID 79420654
4-[(1-ethoxypropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106379693
(1S)-N-[(4-chlorothiophen-2-yl)methyl]-1-pyridin-2-ylethanamine
CID 81401866

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorothiophen-2-yl)methyl]-1-ethoxypropan-2-amine?
The IUPAC name of N-[(4-chlorothiophen-2-yl)methyl]-1-ethoxypropan-2-amine (CID 79420004) is N-[(4-chlorothiophen-2-yl)methyl]-1-ethoxypropan-2-amine.
What is the SMILES notation for N-[(4-chlorothiophen-2-yl)methyl]-1-ethoxypropan-2-amine?
The canonical SMILES for N-[(4-chlorothiophen-2-yl)methyl]-1-ethoxypropan-2-amine is CCOCC(C)NCc1cc(Cl)cs1.
What is the InChIKey of N-[(4-chlorothiophen-2-yl)methyl]-1-ethoxypropan-2-amine?
The InChIKey is KKSPDCYHDLLPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClNOS/c1-3-13-6-8(2)12-5-10-4-9(11)7-14-10/h4,7-8,12H,3,5-6H2,1-2H3.
What are the key properties of N-[(4-chlorothiophen-2-yl)methyl]-1-ethoxypropan-2-amine?
N-[(4-chlorothiophen-2-yl)methyl]-1-ethoxypropan-2-amine has a molecular weight of 233.76 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorothiophen-2-yl)methyl]-1-ethoxypropan-2-amine is sourced from PubChem (CID 79420004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).