7-bromo-2-cyclohex-3-en-1-yl-N-methyl-3,4-dihydro-2H-chromen-4-amine

C16H20BrNO — CID 114711641

IUPAC7-bromo-2-cyclohex-3-en-1-yl-N-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CC(C2CC=CCC2)Oc2cc(Br)ccc21
InChIInChI=1S/C16H20BrNO/c1-18-14-10-15(11-5-3-2-4-6-11)19-16-9-12(17)7-8-13(14)16/h2-3,7-9,11,14-15,18H,4-6,10H2,1H3
InChIKeyPDGUFMSMMKBBHY-UHFFFAOYSA-N
MW322.25 g/mol
LogP4.22
Rot. Bonds2

About 7-bromo-2-cyclohex-3-en-1-yl-N-methyl-3,4-dihydro-2H-chromen-4-amine

7-bromo-2-cyclohex-3-en-1-yl-N-methyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114711641) has the molecular formula C16H20BrNO and a molecular weight of 322.25 g/mol. Its IUPAC name is 7-bromo-2-cyclohex-3-en-1-yl-N-methyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name7-bromo-2-cyclohex-3-en-1-yl-N-methyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID114711641
Molecular FormulaC16H20BrNO
Molecular Weight322.25 g/mol
Exact Mass321.07
IUPAC Name7-bromo-2-cyclohex-3-en-1-yl-N-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CC(C2CC=CCC2)Oc2cc(Br)ccc21
InChIInChI=1S/C16H20BrNO/c1-18-14-10-15(11-5-3-2-4-6-11)19-16-9-12(17)7-8-13(14)16/h2-3,7-9,11,14-15,18H,4-6,10H2,1H3
InChIKeyPDGUFMSMMKBBHY-UHFFFAOYSA-N
XLogP4.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-cyclohex-3-en-1-yl-7-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114710914
7-bromo-2-cyclohex-3-en-1-yl-3,4-dihydro-2H-chromen-4-ol
CID 114714617
2-cyclohex-3-en-1-yl-6-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114712965
(4R)-6-bromo-2-cyclohex-3-en-1-yl-3,4-dihydro-2H-chromen-4-ol
CID 104951328
7-bromo-2-cyclobutyl-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 114711926
7-bromo-2-(2,3-difluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711538
7-bromo-N-methyl-2-(1,3-thiazol-5-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114711573
7-bromo-2-(2-bromo-4-chlorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711700
7-bromo-N,2,2-trimethyl-3,4-dihydrochromen-4-amine
CID 79982958
7-bromo-N-methyl-2-(4-methylsulfanylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114711607
2-cycloheptyl-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114712054
7-bromo-2-(6-methoxy-3-pyridinyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114939156

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-cyclohex-3-en-1-yl-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 7-bromo-2-cyclohex-3-en-1-yl-N-methyl-3,4-dihydro-2H-chromen-4-amine (CID 114711641) is 7-bromo-2-cyclohex-3-en-1-yl-N-methyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 7-bromo-2-cyclohex-3-en-1-yl-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 7-bromo-2-cyclohex-3-en-1-yl-N-methyl-3,4-dihydro-2H-chromen-4-amine is CNC1CC(C2CC=CCC2)Oc2cc(Br)ccc21.
What is the InChIKey of 7-bromo-2-cyclohex-3-en-1-yl-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is PDGUFMSMMKBBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNO/c1-18-14-10-15(11-5-3-2-4-6-11)19-16-9-12(17)7-8-13(14)16/h2-3,7-9,11,14-15,18H,4-6,10H2,1H3.
What are the key properties of 7-bromo-2-cyclohex-3-en-1-yl-N-methyl-3,4-dihydro-2H-chromen-4-amine?
7-bromo-2-cyclohex-3-en-1-yl-N-methyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 322.25 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-cyclohex-3-en-1-yl-N-methyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114711641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).