7-bromo-2-cyclobutyl-N-propyl-3,4-dihydro-2H-chromen-4-amine

C16H22BrNO — CID 114711926

IUPAC7-bromo-2-cyclobutyl-N-propyl-3,4-dihydro-2H-chromen-4-amine
SMILESCCCNC1CC(C2CCC2)Oc2cc(Br)ccc21
InChIInChI=1S/C16H22BrNO/c1-2-8-18-14-10-15(11-4-3-5-11)19-16-9-12(17)6-7-13(14)16/h6-7,9,11,14-15,18H,2-5,8,10H2,1H3
InChIKeyQTWBMOFCBKTHFW-UHFFFAOYSA-N
MW324.26 g/mol
LogP4.44
Rot. Bonds4

About 7-bromo-2-cyclobutyl-N-propyl-3,4-dihydro-2H-chromen-4-amine

7-bromo-2-cyclobutyl-N-propyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114711926) has the molecular formula C16H22BrNO and a molecular weight of 324.26 g/mol. Its IUPAC name is 7-bromo-2-cyclobutyl-N-propyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name7-bromo-2-cyclobutyl-N-propyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID114711926
Molecular FormulaC16H22BrNO
Molecular Weight324.26 g/mol
Exact Mass323.09
IUPAC Name7-bromo-2-cyclobutyl-N-propyl-3,4-dihydro-2H-chromen-4-amine
SMILESCCCNC1CC(C2CCC2)Oc2cc(Br)ccc21
InChIInChI=1S/C16H22BrNO/c1-2-8-18-14-10-15(11-4-3-5-11)19-16-9-12(17)6-7-13(14)16/h6-7,9,11,14-15,18H,2-5,8,10H2,1H3
InChIKeyQTWBMOFCBKTHFW-UHFFFAOYSA-N
XLogP4.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methylcyclohexyl)-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 114712383
(4S)-7-bromo-2-cyclobutyl-3,4-dihydro-2H-chromen-4-amine
CID 104945810
7-bromo-N-propyl-2-thiophen-3-yl-3,4-dihydro-2H-chromen-4-amine
CID 114711885
2-cyclohexyl-N-ethyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 114711017
(4S)-7-bromo-2-cyclohexyl-3,4-dihydro-2H-chromen-4-amine
CID 104945742
(4R)-7-bromo-2-cycloheptyl-3,4-dihydro-2H-chromen-4-amine
CID 104945493
7-bromo-2-cyclohex-3-en-1-yl-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711641
6-bromo-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 43512617
7-bromo-2-(ethoxymethyl)-2-methyl-N-propyl-3,4-dihydrochromen-4-amine
CID 114711924
2-(4-bromothiophen-2-yl)-7-fluoro-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 114713937
7-bromo-N-ethyl-2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114711759
7-bromo-2-(3-chlorophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114711830

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-cyclobutyl-N-propyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 7-bromo-2-cyclobutyl-N-propyl-3,4-dihydro-2H-chromen-4-amine (CID 114711926) is 7-bromo-2-cyclobutyl-N-propyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 7-bromo-2-cyclobutyl-N-propyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 7-bromo-2-cyclobutyl-N-propyl-3,4-dihydro-2H-chromen-4-amine is CCCNC1CC(C2CCC2)Oc2cc(Br)ccc21.
What is the InChIKey of 7-bromo-2-cyclobutyl-N-propyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is QTWBMOFCBKTHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO/c1-2-8-18-14-10-15(11-4-3-5-11)19-16-9-12(17)6-7-13(14)16/h6-7,9,11,14-15,18H,2-5,8,10H2,1H3.
What are the key properties of 7-bromo-2-cyclobutyl-N-propyl-3,4-dihydro-2H-chromen-4-amine?
7-bromo-2-cyclobutyl-N-propyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 324.26 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-cyclobutyl-N-propyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114711926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).