N-[(5-chlorofuran-2-yl)methyl]-3-ethylpentan-2-amine

C12H20ClNO — CID 63842241

IUPACN-[(5-chlorofuran-2-yl)methyl]-3-ethylpentan-2-amine
SMILESCCC(CC)C(C)NCc1ccc(Cl)o1
InChIInChI=1S/C12H20ClNO/c1-4-10(5-2)9(3)14-8-11-6-7-12(13)15-11/h6-7,9-10,14H,4-5,8H2,1-3H3
InChIKeyNMJRSASWPIJVHH-UHFFFAOYSA-N
MW229.75 g/mol
LogP3.85
Rot. Bonds6

About N-[(5-chlorofuran-2-yl)methyl]-3-ethylpentan-2-amine

N-[(5-chlorofuran-2-yl)methyl]-3-ethylpentan-2-amine (PubChem CID 63842241) has the molecular formula C12H20ClNO and a molecular weight of 229.75 g/mol. Its IUPAC name is N-[(5-chlorofuran-2-yl)methyl]-3-ethylpentan-2-amine.

Molecular Properties

Compound NameN-[(5-chlorofuran-2-yl)methyl]-3-ethylpentan-2-amine
PubChem CID63842241
Molecular FormulaC12H20ClNO
Molecular Weight229.75 g/mol
Exact Mass229.12
IUPAC NameN-[(5-chlorofuran-2-yl)methyl]-3-ethylpentan-2-amine
SMILESCCC(CC)C(C)NCc1ccc(Cl)o1
InChIInChI=1S/C12H20ClNO/c1-4-10(5-2)9(3)14-8-11-6-7-12(13)15-11/h6-7,9-10,14H,4-5,8H2,1-3H3
InChIKeyNMJRSASWPIJVHH-UHFFFAOYSA-N
XLogP3.85
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.75
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-N-[(5-ethylfuran-2-yl)methyl]pentan-2-amine
CID 63842434
(2R)-2-[(5-chlorofuran-2-yl)methylamino]propan-1-ol
CID 93318256
(2S)-2-[(5-chlorofuran-2-yl)methylamino]propan-1-ol
CID 93318255
N-[(5-chlorofuran-2-yl)methyl]-5-methylhexan-2-amine
CID 60663070
1-(4-bromophenyl)-N-[(5-chlorofuran-2-yl)methyl]propan-1-amine
CID 60664059
(2R,3S)-N-[(5-chlorofuran-2-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95276291
N-[(5-chlorofuran-2-yl)methyl]-1-(2-chlorophenyl)propan-2-amine
CID 60780252
(1S)-N-[(5-chlorofuran-2-yl)methyl]-1-(4-ethoxyphenyl)ethanamine
CID 93317247
2-[(5-chlorofuran-2-yl)methylamino]-N-ethyl-N-methylpropanamide
CID 103107113
N-[(5-chlorofuran-2-yl)methyl]-1-thiophen-3-ylethanamine
CID 62840287
acetylene;2-chloro-5-ethylfuran;2-methylpropane
CID 143076858
N-[(5-chlorofuran-2-yl)methyl]-1-pyridin-2-ylethanamine
CID 60664381

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorofuran-2-yl)methyl]-3-ethylpentan-2-amine?
The IUPAC name of N-[(5-chlorofuran-2-yl)methyl]-3-ethylpentan-2-amine (CID 63842241) is N-[(5-chlorofuran-2-yl)methyl]-3-ethylpentan-2-amine.
What is the SMILES notation for N-[(5-chlorofuran-2-yl)methyl]-3-ethylpentan-2-amine?
The canonical SMILES for N-[(5-chlorofuran-2-yl)methyl]-3-ethylpentan-2-amine is CCC(CC)C(C)NCc1ccc(Cl)o1.
What is the InChIKey of N-[(5-chlorofuran-2-yl)methyl]-3-ethylpentan-2-amine?
The InChIKey is NMJRSASWPIJVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClNO/c1-4-10(5-2)9(3)14-8-11-6-7-12(13)15-11/h6-7,9-10,14H,4-5,8H2,1-3H3.
What are the key properties of N-[(5-chlorofuran-2-yl)methyl]-3-ethylpentan-2-amine?
N-[(5-chlorofuran-2-yl)methyl]-3-ethylpentan-2-amine has a molecular weight of 229.75 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorofuran-2-yl)methyl]-3-ethylpentan-2-amine is sourced from PubChem (CID 63842241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).