N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-methylbutan-1-amine

C14H18ClNOS — CID 62694537

IUPACN-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-methylbutan-1-amine
SMILESCCC(C)CNC(c1ccco1)c1ccc(Cl)s1
InChIInChI=1S/C14H18ClNOS/c1-3-10(2)9-16-14(11-5-4-8-17-11)12-6-7-13(15)18-12/h4-8,10,14,16H,3,9H2,1-2H3
InChIKeyAMVIDGNAIHTDFT-UHFFFAOYSA-N
MW283.82 g/mol
LogP4.72
Rot. Bonds6

About N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-methylbutan-1-amine

N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-methylbutan-1-amine (PubChem CID 62694537) has the molecular formula C14H18ClNOS and a molecular weight of 283.82 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-methylbutan-1-amine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-methylbutan-1-amine
PubChem CID62694537
Molecular FormulaC14H18ClNOS
Molecular Weight283.82 g/mol
Exact Mass283.08
IUPAC NameN-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-methylbutan-1-amine
SMILESCCC(C)CNC(c1ccco1)c1ccc(Cl)s1
InChIInChI=1S/C14H18ClNOS/c1-3-10(2)9-16-14(11-5-4-8-17-11)12-6-7-13(15)18-12/h4-8,10,14,16H,3,9H2,1-2H3
InChIKeyAMVIDGNAIHTDFT-UHFFFAOYSA-N
XLogP4.72
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.82
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chlorothiophen-2-yl)-N-[(5-ethylthiophen-2-yl)methyl]-1-(furan-2-yl)methanamine
CID 106009564
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]octan-1-amine
CID 115566785
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 104759481
2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]-N-propan-2-ylacetamide
CID 43777895
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]hexan-3-amine
CID 62117806
N'-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]propane-1,3-diamine
CID 60895734
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]heptan-2-amine
CID 43778058
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]pent-1-yn-3-amine
CID 114160682
3-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]-2,2-dimethylpropan-1-ol
CID 115359136
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-4-propan-2-yloxybutan-1-amine
CID 106007751
2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]-N-ethylethanesulfonamide
CID 106334631
2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]propanamide
CID 43777111

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-methylbutan-1-amine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-methylbutan-1-amine (CID 62694537) is N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-methylbutan-1-amine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-methylbutan-1-amine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-methylbutan-1-amine is CCC(C)CNC(c1ccco1)c1ccc(Cl)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-methylbutan-1-amine?
The InChIKey is AMVIDGNAIHTDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNOS/c1-3-10(2)9-16-14(11-5-4-8-17-11)12-6-7-13(15)18-12/h4-8,10,14,16H,3,9H2,1-2H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-methylbutan-1-amine?
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-methylbutan-1-amine has a molecular weight of 283.82 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-methylbutan-1-amine is sourced from PubChem (CID 62694537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).