1-(2-chlorofuran-3-yl)-N-methyloctan-1-amine

C13H22ClNO — CID 106691690

IUPAC1-(2-chlorofuran-3-yl)-N-methyloctan-1-amine
SMILESCCCCCCCC(NC)c1ccoc1Cl
InChIInChI=1S/C13H22ClNO/c1-3-4-5-6-7-8-12(15-2)11-9-10-16-13(11)14/h9-10,12,15H,3-8H2,1-2H3
InChIKeyPQQFPBWYSYJBAJ-UHFFFAOYSA-N
MW243.78 g/mol
LogP4.55
Rot. Bonds8

About 1-(2-chlorofuran-3-yl)-N-methyloctan-1-amine

1-(2-chlorofuran-3-yl)-N-methyloctan-1-amine (PubChem CID 106691690) has the molecular formula C13H22ClNO and a molecular weight of 243.78 g/mol. Its IUPAC name is 1-(2-chlorofuran-3-yl)-N-methyloctan-1-amine.

Molecular Properties

Compound Name1-(2-chlorofuran-3-yl)-N-methyloctan-1-amine
PubChem CID106691690
Molecular FormulaC13H22ClNO
Molecular Weight243.78 g/mol
Exact Mass243.14
IUPAC Name1-(2-chlorofuran-3-yl)-N-methyloctan-1-amine
SMILESCCCCCCCC(NC)c1ccoc1Cl
InChIInChI=1S/C13H22ClNO/c1-3-4-5-6-7-8-12(15-2)11-9-10-16-13(11)14/h9-10,12,15H,3-8H2,1-2H3
InChIKeyPQQFPBWYSYJBAJ-UHFFFAOYSA-N
XLogP4.55
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.78
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-chlorofuran-3-yl)octylhydrazine
CID 106694263
1-(2-chlorofuran-3-yl)nonylhydrazine
CID 106694271
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CID 106691699
N-methyl-1-[2-[1-(methylamino)pentadecyl]phenyl]pentadecan-1-amine
CID 57228103
1-(2,5-dichlorophenyl)-N-methylnonan-1-amine
CID 65449520
1-(2,5-dichlorophenyl)-N-methyldecan-1-amine
CID 65449519
1-(5-chloro-2-methylphenyl)-N-methylundecan-1-amine
CID 115845912
1-(5-chloro-2-methylphenyl)-N-methylnonan-1-amine
CID 115835500
1-(2,5-dichlorophenyl)-N-methylhexan-1-amine
CID 43486640
1-(4-chloronaphthalen-1-yl)-N-methyloctan-1-amine
CID 79591637
1-(3-chloro-2-methylphenyl)-N-methylheptan-1-amine
CID 107102165
N-methyl-1-quinolin-4-yloctan-1-amine
CID 105124579

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorofuran-3-yl)-N-methyloctan-1-amine?
The IUPAC name of 1-(2-chlorofuran-3-yl)-N-methyloctan-1-amine (CID 106691690) is 1-(2-chlorofuran-3-yl)-N-methyloctan-1-amine.
What is the SMILES notation for 1-(2-chlorofuran-3-yl)-N-methyloctan-1-amine?
The canonical SMILES for 1-(2-chlorofuran-3-yl)-N-methyloctan-1-amine is CCCCCCCC(NC)c1ccoc1Cl.
What is the InChIKey of 1-(2-chlorofuran-3-yl)-N-methyloctan-1-amine?
The InChIKey is PQQFPBWYSYJBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClNO/c1-3-4-5-6-7-8-12(15-2)11-9-10-16-13(11)14/h9-10,12,15H,3-8H2,1-2H3.
What are the key properties of 1-(2-chlorofuran-3-yl)-N-methyloctan-1-amine?
1-(2-chlorofuran-3-yl)-N-methyloctan-1-amine has a molecular weight of 243.78 g/mol, XLogP of 4.55, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorofuran-3-yl)-N-methyloctan-1-amine is sourced from PubChem (CID 106691690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).