(2-bromo-4-methoxyphenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine

C17H18BrNO — CID 106892723

IUPAC(2-bromo-4-methoxyphenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine
SMILESCOc1ccc(C(N)C2Cc3ccccc3C2)c(Br)c1
InChIInChI=1S/C17H18BrNO/c1-20-14-6-7-15(16(18)10-14)17(19)13-8-11-4-2-3-5-12(11)9-13/h2-7,10,13,17H,8-9,19H2,1H3
InChIKeyUCBCXFNZJVHMHM-UHFFFAOYSA-N
MW332.24 g/mol
LogP3.87
Rot. Bonds3

About (2-bromo-4-methoxyphenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine

(2-bromo-4-methoxyphenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine (PubChem CID 106892723) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is (2-bromo-4-methoxyphenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine.

Molecular Properties

Compound Name(2-bromo-4-methoxyphenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine
PubChem CID106892723
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC Name(2-bromo-4-methoxyphenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine
SMILESCOc1ccc(C(N)C2Cc3ccccc3C2)c(Br)c1
InChIInChI=1S/C17H18BrNO/c1-20-14-6-7-15(16(18)10-14)17(19)13-8-11-4-2-3-5-12(11)9-13/h2-7,10,13,17H,8-9,19H2,1H3
InChIKeyUCBCXFNZJVHMHM-UHFFFAOYSA-N
XLogP3.87
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 ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2-bromo-4-methoxyphenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-bromo-4-methoxyphenyl)-cyclopropylmethanamine
CID 3340478
(2-chloro-4-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 107126524
(R)-(2-bromo-5-methoxyphenyl)-cyclopropylmethanamine
CID 130690671
2,3-dihydro-1H-inden-2-yl-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 103433624
(2-bromo-4-methoxyphenyl)-phenylmethanamine
CID 60785941
(R)-(2-bromo-5-methoxyphenyl)-cyclopentylmethanamine
CID 131313230
1-(2-bromo-4-methoxyphenyl)ethanamine;hydrochloride
CID 122360281
(2-bromo-5-methoxyphenyl)-cyclohexylmethanamine
CID 105079644
(S)-(2-bromo-5-methoxyphenyl)-cyclohexylmethanamine
CID 171224429
2-[(2-bromo-4-methoxyphenyl)-chloromethyl]-2,3-dihydro-1-benzofuran
CID 63435447
2-[chloro-(2,5-dimethoxyphenyl)methyl]-2,3-dihydro-1H-indene
CID 106893752
(2,5-dibromo-4-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 107126582

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-methoxyphenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine?
The IUPAC name of (2-bromo-4-methoxyphenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine (CID 106892723) is (2-bromo-4-methoxyphenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine.
What is the SMILES notation for (2-bromo-4-methoxyphenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine?
The canonical SMILES for (2-bromo-4-methoxyphenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine is COc1ccc(C(N)C2Cc3ccccc3C2)c(Br)c1.
What is the InChIKey of (2-bromo-4-methoxyphenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine?
The InChIKey is UCBCXFNZJVHMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO/c1-20-14-6-7-15(16(18)10-14)17(19)13-8-11-4-2-3-5-12(11)9-13/h2-7,10,13,17H,8-9,19H2,1H3.
What are the key properties of (2-bromo-4-methoxyphenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine?
(2-bromo-4-methoxyphenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine has a molecular weight of 332.24 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-methoxyphenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine is sourced from PubChem (CID 106892723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).