2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]aniline

C13H14ClNO — CID 43194719

IUPAC2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]aniline
SMILESCc1ccc(C(C)Nc2ccccc2Cl)o1
InChIInChI=1S/C13H14ClNO/c1-9-7-8-13(16-9)10(2)15-12-6-4-3-5-11(12)14/h3-8,10,15H,1-2H3
InChIKeyCTKRJOXZQQFLIP-UHFFFAOYSA-N
MW235.71 g/mol
LogP4.41
Rot. Bonds3

About 2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]aniline

2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]aniline (PubChem CID 43194719) has the molecular formula C13H14ClNO and a molecular weight of 235.71 g/mol. Its IUPAC name is 2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]aniline.

Molecular Properties

Compound Name2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]aniline
PubChem CID43194719
Molecular FormulaC13H14ClNO
Molecular Weight235.71 g/mol
Exact Mass235.08
IUPAC Name2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]aniline
SMILESCc1ccc(C(C)Nc2ccccc2Cl)o1
InChIInChI=1S/C13H14ClNO/c1-9-7-8-13(16-9)10(2)15-12-6-4-3-5-11(12)14/h3-8,10,15H,1-2H3
InChIKeyCTKRJOXZQQFLIP-UHFFFAOYSA-N
XLogP4.41
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-iodo-N-[1-(5-methylfuran-2-yl)ethyl]aniline
CID 43124775
2-chloro-1-N-[1-(5-methylfuran-2-yl)ethyl]benzene-1,4-diamine
CID 61476589
3-chloro-N-[1-(5-methylfuran-2-yl)ethyl]pyridin-2-amine
CID 60701648
N-[2-[1-(5-methylfuran-2-yl)ethylamino]phenyl]methanesulfonamide
CID 43744105
2,3-difluoro-N-[1-(5-methylfuran-2-yl)ethyl]aniline
CID 61077155
N-[(2-chlorophenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine
CID 43178081
N-[1-(5-bromofuran-2-yl)ethyl]-3-chloro-2-methylaniline
CID 113437440
2-bromo-4-chloro-N-[1-(5-methylfuran-2-yl)ethyl]aniline
CID 81263735
2-bromo-5-chloro-N-[1-(5-methylfuran-2-yl)ethyl]aniline
CID 81271203
2,5-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]aniline
CID 43196557
2-methoxy-N-[1-(5-methylfuran-2-yl)ethyl]pyridin-3-amine
CID 43721921
2-N,2-N-dimethyl-3-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-2,3-diamine
CID 43707902

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]aniline?
The IUPAC name of 2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]aniline (CID 43194719) is 2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]aniline.
What is the SMILES notation for 2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]aniline?
The canonical SMILES for 2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]aniline is Cc1ccc(C(C)Nc2ccccc2Cl)o1.
What is the InChIKey of 2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]aniline?
The InChIKey is CTKRJOXZQQFLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO/c1-9-7-8-13(16-9)10(2)15-12-6-4-3-5-11(12)14/h3-8,10,15H,1-2H3.
What are the key properties of 2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]aniline?
2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]aniline has a molecular weight of 235.71 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]aniline is sourced from PubChem (CID 43194719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).