N-benzyl-6-bromo-3,4-dihydro-2H-chromen-4-amine

C16H16BrNO — CID 43757033

IUPACN-benzyl-6-bromo-3,4-dihydro-2H-chromen-4-amine
SMILESBrc1ccc2c(c1)C(NCc1ccccc1)CCO2
InChIInChI=1S/C16H16BrNO/c17-13-6-7-16-14(10-13)15(8-9-19-16)18-11-12-4-2-1-3-5-12/h1-7,10,15,18H,8-9,11H2
InChIKeyWUUUNIRZBNCMJP-UHFFFAOYSA-N
MW318.21 g/mol
LogP4.06
Rot. Bonds3

About N-benzyl-6-bromo-3,4-dihydro-2H-chromen-4-amine

N-benzyl-6-bromo-3,4-dihydro-2H-chromen-4-amine (PubChem CID 43757033) has the molecular formula C16H16BrNO and a molecular weight of 318.21 g/mol. Its IUPAC name is N-benzyl-6-bromo-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-benzyl-6-bromo-3,4-dihydro-2H-chromen-4-amine
PubChem CID43757033
Molecular FormulaC16H16BrNO
Molecular Weight318.21 g/mol
Exact Mass317.04
IUPAC NameN-benzyl-6-bromo-3,4-dihydro-2H-chromen-4-amine
SMILESBrc1ccc2c(c1)C(NCc1ccccc1)CCO2
InChIInChI=1S/C16H16BrNO/c17-13-6-7-16-14(10-13)15(8-9-19-16)18-11-12-4-2-1-3-5-12/h1-7,10,15,18H,8-9,11H2
InChIKeyWUUUNIRZBNCMJP-UHFFFAOYSA-N
XLogP4.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-6-chloro-3,4-dihydro-2H-chromen-4-amine
CID 12851989
6-bromo-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 43769329
N-benzyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 12851988
6-bromo-N-[(5-bromothiophen-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 54900398
6-bromo-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 43512617
6-bromo-N-(pyridazin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 106895049
6-bromo-N-[(5-methylfuran-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 47624108
6-bromo-N-prop-2-enyl-3,4-dihydro-2H-chromen-4-amine
CID 43755416
6-bromo-N-(2,2-difluoroethyl)-3,4-dihydro-2H-chromen-4-amine
CID 115405791
N-[(5-bromo-2-chlorophenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 103792365
6-bromo-N-(2-pyridin-3-ylethyl)-3,4-dihydro-2H-chromen-4-amine
CID 60914256
6-bromo-N-[(3-methyl-2-pyridinyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 63305839

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-bromo-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-benzyl-6-bromo-3,4-dihydro-2H-chromen-4-amine (CID 43757033) is N-benzyl-6-bromo-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-benzyl-6-bromo-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-benzyl-6-bromo-3,4-dihydro-2H-chromen-4-amine is Brc1ccc2c(c1)C(NCc1ccccc1)CCO2.
What is the InChIKey of N-benzyl-6-bromo-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is WUUUNIRZBNCMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO/c17-13-6-7-16-14(10-13)15(8-9-19-16)18-11-12-4-2-1-3-5-12/h1-7,10,15,18H,8-9,11H2.
What are the key properties of N-benzyl-6-bromo-3,4-dihydro-2H-chromen-4-amine?
N-benzyl-6-bromo-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 318.21 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-bromo-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 43757033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).