(4-bromo-2-methylphenyl)-(3,4-dihydro-2H-chromen-6-yl)methanamine

C17H18BrNO — CID 61026459

IUPAC(4-bromo-2-methylphenyl)-(3,4-dihydro-2H-chromen-6-yl)methanamine
SMILESCc1cc(Br)ccc1C(N)c1ccc2c(c1)CCCO2
InChIInChI=1S/C17H18BrNO/c1-11-9-14(18)5-6-15(11)17(19)13-4-7-16-12(10-13)3-2-8-20-16/h4-7,9-10,17H,2-3,8,19H2,1H3
InChIKeyWVUABKJYBGSPQT-UHFFFAOYSA-N
MW332.24 g/mol
LogP4.13
Rot. Bonds2

About (4-bromo-2-methylphenyl)-(3,4-dihydro-2H-chromen-6-yl)methanamine

(4-bromo-2-methylphenyl)-(3,4-dihydro-2H-chromen-6-yl)methanamine (PubChem CID 61026459) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is (4-bromo-2-methylphenyl)-(3,4-dihydro-2H-chromen-6-yl)methanamine.

Molecular Properties

Compound Name(4-bromo-2-methylphenyl)-(3,4-dihydro-2H-chromen-6-yl)methanamine
PubChem CID61026459
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC Name(4-bromo-2-methylphenyl)-(3,4-dihydro-2H-chromen-6-yl)methanamine
SMILESCc1cc(Br)ccc1C(N)c1ccc2c(c1)CCCO2
InChIInChI=1S/C17H18BrNO/c1-11-9-14(18)5-6-15(11)17(19)13-4-7-16-12(10-13)3-2-8-20-16/h4-7,9-10,17H,2-3,8,19H2,1H3
InChIKeyWVUABKJYBGSPQT-UHFFFAOYSA-N
XLogP4.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-2-fluorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanamine
CID 61027758
(4-bromo-2-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 43629713
(2-bromo-4-fluorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanamine
CID 61027221
6-[bromo-(4-bromophenyl)methyl]-3,4-dihydro-2H-chromene
CID 63444189
(5-bromo-2-methylphenyl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanamine
CID 65308179
(2,4-dibromophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol
CID 107955593
(2-bromo-3-methylphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 107981824
7-[bromo-(4-bromo-2-methylphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine
CID 63437497
(2,3-dichlorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanamine
CID 61026960
1-(5-bromo-2-chlorophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylmethanamine
CID 61026466
1,3-dihydro-2-benzofuran-5-yl(3,4-dihydro-2H-chromen-6-yl)methanamine
CID 63731423
(2-bromo-4-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 62199757

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methylphenyl)-(3,4-dihydro-2H-chromen-6-yl)methanamine?
The IUPAC name of (4-bromo-2-methylphenyl)-(3,4-dihydro-2H-chromen-6-yl)methanamine (CID 61026459) is (4-bromo-2-methylphenyl)-(3,4-dihydro-2H-chromen-6-yl)methanamine.
What is the SMILES notation for (4-bromo-2-methylphenyl)-(3,4-dihydro-2H-chromen-6-yl)methanamine?
The canonical SMILES for (4-bromo-2-methylphenyl)-(3,4-dihydro-2H-chromen-6-yl)methanamine is Cc1cc(Br)ccc1C(N)c1ccc2c(c1)CCCO2.
What is the InChIKey of (4-bromo-2-methylphenyl)-(3,4-dihydro-2H-chromen-6-yl)methanamine?
The InChIKey is WVUABKJYBGSPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO/c1-11-9-14(18)5-6-15(11)17(19)13-4-7-16-12(10-13)3-2-8-20-16/h4-7,9-10,17H,2-3,8,19H2,1H3.
What are the key properties of (4-bromo-2-methylphenyl)-(3,4-dihydro-2H-chromen-6-yl)methanamine?
(4-bromo-2-methylphenyl)-(3,4-dihydro-2H-chromen-6-yl)methanamine has a molecular weight of 332.24 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-methylphenyl)-(3,4-dihydro-2H-chromen-6-yl)methanamine is sourced from PubChem (CID 61026459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).