N-[2-(7-chloro-1-benzofuran-3-yl)ethyl]propan-2-amine

C13H16ClNO — CID 81047320

IUPACN-[2-(7-chloro-1-benzofuran-3-yl)ethyl]propan-2-amine
SMILESCC(C)NCCc1coc2c(Cl)cccc12
InChIInChI=1S/C13H16ClNO/c1-9(2)15-7-6-10-8-16-13-11(10)4-3-5-12(13)14/h3-5,8-9,15H,6-7H2,1-2H3
InChIKeyWJZZJSDUCSVPNO-UHFFFAOYSA-N
MW237.73 g/mol
LogP3.63
Rot. Bonds4

About N-[2-(7-chloro-1-benzofuran-3-yl)ethyl]propan-2-amine

N-[2-(7-chloro-1-benzofuran-3-yl)ethyl]propan-2-amine (PubChem CID 81047320) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is N-[2-(7-chloro-1-benzofuran-3-yl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(7-chloro-1-benzofuran-3-yl)ethyl]propan-2-amine
PubChem CID81047320
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC NameN-[2-(7-chloro-1-benzofuran-3-yl)ethyl]propan-2-amine
SMILESCC(C)NCCc1coc2c(Cl)cccc12
InChIInChI=1S/C13H16ClNO/c1-9(2)15-7-6-10-8-16-13-11(10)4-3-5-12(13)14/h3-5,8-9,15H,6-7H2,1-2H3
InChIKeyWJZZJSDUCSVPNO-UHFFFAOYSA-N
XLogP3.63
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(7-chloro-1-benzofuran-3-yl)ethyl]propan-2-amine?
The IUPAC name of N-[2-(7-chloro-1-benzofuran-3-yl)ethyl]propan-2-amine (CID 81047320) is N-[2-(7-chloro-1-benzofuran-3-yl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(7-chloro-1-benzofuran-3-yl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(7-chloro-1-benzofuran-3-yl)ethyl]propan-2-amine is CC(C)NCCc1coc2c(Cl)cccc12.
What is the InChIKey of N-[2-(7-chloro-1-benzofuran-3-yl)ethyl]propan-2-amine?
The InChIKey is WJZZJSDUCSVPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO/c1-9(2)15-7-6-10-8-16-13-11(10)4-3-5-12(13)14/h3-5,8-9,15H,6-7H2,1-2H3.
What are the key properties of N-[2-(7-chloro-1-benzofuran-3-yl)ethyl]propan-2-amine?
N-[2-(7-chloro-1-benzofuran-3-yl)ethyl]propan-2-amine has a molecular weight of 237.73 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-chloro-1-benzofuran-3-yl)ethyl]propan-2-amine is sourced from PubChem (CID 81047320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).