[3-[(4-bromophenyl)methyl]-2,4-dihydrochromen-3-yl]methanamine

C17H18BrNO — CID 65407882

IUPAC[3-[(4-bromophenyl)methyl]-2,4-dihydrochromen-3-yl]methanamine
SMILESNCC1(Cc2ccc(Br)cc2)COc2ccccc2C1
InChIInChI=1S/C17H18BrNO/c18-15-7-5-13(6-8-15)9-17(11-19)10-14-3-1-2-4-16(14)20-12-17/h1-8H,9-12,19H2
InChIKeyDPZVJAZWCHUYTC-UHFFFAOYSA-N
MW332.24 g/mol
LogP3.57
Rot. Bonds3

About [3-[(4-bromophenyl)methyl]-2,4-dihydrochromen-3-yl]methanamine

[3-[(4-bromophenyl)methyl]-2,4-dihydrochromen-3-yl]methanamine (PubChem CID 65407882) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is [3-[(4-bromophenyl)methyl]-2,4-dihydrochromen-3-yl]methanamine.

Molecular Properties

Compound Name[3-[(4-bromophenyl)methyl]-2,4-dihydrochromen-3-yl]methanamine
PubChem CID65407882
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC Name[3-[(4-bromophenyl)methyl]-2,4-dihydrochromen-3-yl]methanamine
SMILESNCC1(Cc2ccc(Br)cc2)COc2ccccc2C1
InChIInChI=1S/C17H18BrNO/c18-15-7-5-13(6-8-15)9-17(11-19)10-14-3-1-2-4-16(14)20-12-17/h1-8H,9-12,19H2
InChIKeyDPZVJAZWCHUYTC-UHFFFAOYSA-N
XLogP3.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-[(4-bromophenyl)methyl]-2,4-dihydrochromen-3-yl]methanamine?
The IUPAC name of [3-[(4-bromophenyl)methyl]-2,4-dihydrochromen-3-yl]methanamine (CID 65407882) is [3-[(4-bromophenyl)methyl]-2,4-dihydrochromen-3-yl]methanamine.
What is the SMILES notation for [3-[(4-bromophenyl)methyl]-2,4-dihydrochromen-3-yl]methanamine?
The canonical SMILES for [3-[(4-bromophenyl)methyl]-2,4-dihydrochromen-3-yl]methanamine is NCC1(Cc2ccc(Br)cc2)COc2ccccc2C1.
What is the InChIKey of [3-[(4-bromophenyl)methyl]-2,4-dihydrochromen-3-yl]methanamine?
The InChIKey is DPZVJAZWCHUYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO/c18-15-7-5-13(6-8-15)9-17(11-19)10-14-3-1-2-4-16(14)20-12-17/h1-8H,9-12,19H2.
What are the key properties of [3-[(4-bromophenyl)methyl]-2,4-dihydrochromen-3-yl]methanamine?
[3-[(4-bromophenyl)methyl]-2,4-dihydrochromen-3-yl]methanamine has a molecular weight of 332.24 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-bromophenyl)methyl]-2,4-dihydrochromen-3-yl]methanamine is sourced from PubChem (CID 65407882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).