N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]hexan-3-amine

C15H20ClNOS — CID 62117806

IUPACN-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]hexan-3-amine
SMILESCCCC(CC)NC(c1ccco1)c1ccc(Cl)s1
InChIInChI=1S/C15H20ClNOS/c1-3-6-11(4-2)17-15(12-7-5-10-18-12)13-8-9-14(16)19-13/h5,7-11,15,17H,3-4,6H2,1-2H3
InChIKeyOKZDZTIYWUDMCM-UHFFFAOYSA-N
MW297.85 g/mol
LogP5.25
Rot. Bonds7

About N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]hexan-3-amine

N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]hexan-3-amine (PubChem CID 62117806) has the molecular formula C15H20ClNOS and a molecular weight of 297.85 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]hexan-3-amine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]hexan-3-amine
PubChem CID62117806
Molecular FormulaC15H20ClNOS
Molecular Weight297.85 g/mol
Exact Mass297.10
IUPAC NameN-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]hexan-3-amine
SMILESCCCC(CC)NC(c1ccco1)c1ccc(Cl)s1
InChIInChI=1S/C15H20ClNOS/c1-3-6-11(4-2)17-15(12-7-5-10-18-12)13-8-9-14(16)19-13/h5,7-11,15,17H,3-4,6H2,1-2H3
InChIKeyOKZDZTIYWUDMCM-UHFFFAOYSA-N
XLogP5.25
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.85
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-methylbutan-1-amine
CID 62694537
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]octan-1-amine
CID 115566785
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]but-3-yn-2-amine
CID 114415106
2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]propanamide
CID 43777111
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]-4-ethylaniline
CID 43764328
2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]-2-ethylpropane-1,3-diol
CID 107865040
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-ethylethanesulfonamide
CID 106334631
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-3-ethylaniline
CID 43765153

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]hexan-3-amine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]hexan-3-amine (CID 62117806) is N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]hexan-3-amine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]hexan-3-amine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]hexan-3-amine is CCCC(CC)NC(c1ccco1)c1ccc(Cl)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]hexan-3-amine?
The InChIKey is OKZDZTIYWUDMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNOS/c1-3-6-11(4-2)17-15(12-7-5-10-18-12)13-8-9-14(16)19-13/h5,7-11,15,17H,3-4,6H2,1-2H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]hexan-3-amine?
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]hexan-3-amine has a molecular weight of 297.85 g/mol, XLogP of 5.25, 7 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]hexan-3-amine is sourced from PubChem (CID 62117806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).