N-[(4R)-4-(aminomethyl)-3,4-dihydro-2H-chromen-7-yl]-5-chloro-N-methylpyridin-2-amine

C16H18ClN3O — CID 118598242

IUPACN-[(4R)-4-(aminomethyl)-3,4-dihydro-2H-chromen-7-yl]-5-chloro-N-methylpyridin-2-amine
SMILESCN(c1ccc2c(c1)OCC[C@H]2CN)c1ccc(Cl)cn1
InChIInChI=1S/C16H18ClN3O/c1-20(16-5-2-12(17)10-19-16)13-3-4-14-11(9-18)6-7-21-15(14)8-13/h2-5,8,10-11H,6-7,9,18H2,1H3/t11-/m0/s1
InChIKeyMYBMVJFVSZZWFP-NSHDSACASA-N
MW303.79 g/mol
LogP3.33
Rot. Bonds3

About N-[(4R)-4-(aminomethyl)-3,4-dihydro-2H-chromen-7-yl]-5-chloro-N-methylpyridin-2-amine

N-[(4R)-4-(aminomethyl)-3,4-dihydro-2H-chromen-7-yl]-5-chloro-N-methylpyridin-2-amine (PubChem CID 118598242) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is N-[(4R)-4-(aminomethyl)-3,4-dihydro-2H-chromen-7-yl]-5-chloro-N-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[(4R)-4-(aminomethyl)-3,4-dihydro-2H-chromen-7-yl]-5-chloro-N-methylpyridin-2-amine
PubChem CID118598242
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC NameN-[(4R)-4-(aminomethyl)-3,4-dihydro-2H-chromen-7-yl]-5-chloro-N-methylpyridin-2-amine
SMILESCN(c1ccc2c(c1)OCC[C@H]2CN)c1ccc(Cl)cn1
InChIInChI=1S/C16H18ClN3O/c1-20(16-5-2-12(17)10-19-16)13-3-4-14-11(9-18)6-7-21-15(14)8-13/h2-5,8,10-11H,6-7,9,18H2,1H3/t11-/m0/s1
InChIKeyMYBMVJFVSZZWFP-NSHDSACASA-N
XLogP3.33
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4R)-4-(aminomethyl)-3,4-dihydro-2H-chromen-7-yl]-5-chloro-N-methylpyridin-2-amine?
The IUPAC name of N-[(4R)-4-(aminomethyl)-3,4-dihydro-2H-chromen-7-yl]-5-chloro-N-methylpyridin-2-amine (CID 118598242) is N-[(4R)-4-(aminomethyl)-3,4-dihydro-2H-chromen-7-yl]-5-chloro-N-methylpyridin-2-amine.
What is the SMILES notation for N-[(4R)-4-(aminomethyl)-3,4-dihydro-2H-chromen-7-yl]-5-chloro-N-methylpyridin-2-amine?
The canonical SMILES for N-[(4R)-4-(aminomethyl)-3,4-dihydro-2H-chromen-7-yl]-5-chloro-N-methylpyridin-2-amine is CN(c1ccc2c(c1)OCC[C@H]2CN)c1ccc(Cl)cn1.
What is the InChIKey of N-[(4R)-4-(aminomethyl)-3,4-dihydro-2H-chromen-7-yl]-5-chloro-N-methylpyridin-2-amine?
The InChIKey is MYBMVJFVSZZWFP-NSHDSACASA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-20(16-5-2-12(17)10-19-16)13-3-4-14-11(9-18)6-7-21-15(14)8-13/h2-5,8,10-11H,6-7,9,18H2,1H3/t11-/m0/s1.
What are the key properties of N-[(4R)-4-(aminomethyl)-3,4-dihydro-2H-chromen-7-yl]-5-chloro-N-methylpyridin-2-amine?
N-[(4R)-4-(aminomethyl)-3,4-dihydro-2H-chromen-7-yl]-5-chloro-N-methylpyridin-2-amine has a molecular weight of 303.79 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-4-(aminomethyl)-3,4-dihydro-2H-chromen-7-yl]-5-chloro-N-methylpyridin-2-amine is sourced from PubChem (CID 118598242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).