6-chloro-2-(1-methoxypropan-2-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine

C16H24ClNO2 — CID 114711441

IUPAC6-chloro-2-(1-methoxypropan-2-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine
SMILESCCCNC1CC(C(C)COC)Oc2ccc(Cl)cc21
InChIInChI=1S/C16H24ClNO2/c1-4-7-18-14-9-16(11(2)10-19-3)20-15-6-5-12(17)8-13(14)15/h5-6,8,11,14,16,18H,4,7,9-10H2,1-3H3
InChIKeyHXFNOYIYRSMAIM-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.81
Rot. Bonds6

About 6-chloro-2-(1-methoxypropan-2-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine

6-chloro-2-(1-methoxypropan-2-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114711441) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is 6-chloro-2-(1-methoxypropan-2-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6-chloro-2-(1-methoxypropan-2-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID114711441
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC Name6-chloro-2-(1-methoxypropan-2-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine
SMILESCCCNC1CC(C(C)COC)Oc2ccc(Cl)cc21
InChIInChI=1S/C16H24ClNO2/c1-4-7-18-14-9-16(11(2)10-19-3)20-15-6-5-12(17)8-13(14)15/h5-6,8,11,14,16,18H,4,7,9-10H2,1-3H3
InChIKeyHXFNOYIYRSMAIM-UHFFFAOYSA-N
XLogP3.81
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-fluoro-2-(1-methoxypropan-2-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 114713911
6-methoxy-2-pentan-3-yl-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 114713104
6-chloro-2-ethyl-2-(methoxymethyl)-N-propyl-3,4-dihydrochromen-4-amine
CID 114711486
N-ethyl-6-methoxy-2-pentan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 114713069
(4R)-6-chloro-2-pentan-2-yl-3,4-dihydro-2H-chromen-4-ol
CID 104949258
6-chloro-2-(1-methylpyrazol-4-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 114711481
6-chloro-2-methyl-2-(2-methylpropyl)-N-propyl-3,4-dihydrochromen-4-amine
CID 114711494
6-bromo-2-butan-2-yl-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114713393
(4R)-6-fluoro-2-(1-methoxypropan-2-yl)-3,4-dihydro-2H-chromen-4-ol
CID 104948407
6-methoxy-2-(1-methoxypropan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114709829
(4R)-6-chloro-2-(4-methylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114201320
6-chloro-2-(4-methylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114201319

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(1-methoxypropan-2-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6-chloro-2-(1-methoxypropan-2-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine (CID 114711441) is 6-chloro-2-(1-methoxypropan-2-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6-chloro-2-(1-methoxypropan-2-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6-chloro-2-(1-methoxypropan-2-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine is CCCNC1CC(C(C)COC)Oc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-2-(1-methoxypropan-2-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is HXFNOYIYRSMAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-4-7-18-14-9-16(11(2)10-19-3)20-15-6-5-12(17)8-13(14)15/h5-6,8,11,14,16,18H,4,7,9-10H2,1-3H3.
What are the key properties of 6-chloro-2-(1-methoxypropan-2-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine?
6-chloro-2-(1-methoxypropan-2-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 297.83 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(1-methoxypropan-2-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114711441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).