N-[(6-chloro-2H-chromen-3-yl)methyl]ethanamine

C12H14ClNO — CID 115615997

IUPACN-[(6-chloro-2H-chromen-3-yl)methyl]ethanamine
SMILESCCNCC1=Cc2cc(Cl)ccc2OC1
InChIInChI=1S/C12H14ClNO/c1-2-14-7-9-5-10-6-11(13)3-4-12(10)15-8-9/h3-6,14H,2,7-8H2,1H3
InChIKeyTWIOCDMXNOBEDP-UHFFFAOYSA-N
MW223.70 g/mol
LogP2.73
Rot. Bonds3

About N-[(6-chloro-2H-chromen-3-yl)methyl]ethanamine

N-[(6-chloro-2H-chromen-3-yl)methyl]ethanamine (PubChem CID 115615997) has the molecular formula C12H14ClNO and a molecular weight of 223.70 g/mol. Its IUPAC name is N-[(6-chloro-2H-chromen-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(6-chloro-2H-chromen-3-yl)methyl]ethanamine
PubChem CID115615997
Molecular FormulaC12H14ClNO
Molecular Weight223.70 g/mol
Exact Mass223.08
IUPAC NameN-[(6-chloro-2H-chromen-3-yl)methyl]ethanamine
SMILESCCNCC1=Cc2cc(Cl)ccc2OC1
InChIInChI=1S/C12H14ClNO/c1-2-14-7-9-5-10-6-11(13)3-4-12(10)15-8-9/h3-6,14H,2,7-8H2,1H3
InChIKeyTWIOCDMXNOBEDP-UHFFFAOYSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-2H-chromen-3-yl)methyl]ethanamine?
The IUPAC name of N-[(6-chloro-2H-chromen-3-yl)methyl]ethanamine (CID 115615997) is N-[(6-chloro-2H-chromen-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(6-chloro-2H-chromen-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(6-chloro-2H-chromen-3-yl)methyl]ethanamine is CCNCC1=Cc2cc(Cl)ccc2OC1.
What is the InChIKey of N-[(6-chloro-2H-chromen-3-yl)methyl]ethanamine?
The InChIKey is TWIOCDMXNOBEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO/c1-2-14-7-9-5-10-6-11(13)3-4-12(10)15-8-9/h3-6,14H,2,7-8H2,1H3.
What are the key properties of N-[(6-chloro-2H-chromen-3-yl)methyl]ethanamine?
N-[(6-chloro-2H-chromen-3-yl)methyl]ethanamine has a molecular weight of 223.70 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-2H-chromen-3-yl)methyl]ethanamine is sourced from PubChem (CID 115615997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).