(5-bromo-2-ethoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine

C18H20BrNO — CID 43311398

IUPAC(5-bromo-2-ethoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
SMILESCCOc1ccc(Br)cc1C(N)c1ccc2c(c1)CCC2
InChIInChI=1S/C18H20BrNO/c1-2-21-17-9-8-15(19)11-16(17)18(20)14-7-6-12-4-3-5-13(12)10-14/h6-11,18H,2-5,20H2,1H3
InChIKeyCKAWFIKOFMYYDX-UHFFFAOYSA-N
MW346.27 g/mol
LogP4.38
Rot. Bonds4

About (5-bromo-2-ethoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine

(5-bromo-2-ethoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine (PubChem CID 43311398) has the molecular formula C18H20BrNO and a molecular weight of 346.27 g/mol. Its IUPAC name is (5-bromo-2-ethoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine.

Molecular Properties

Compound Name(5-bromo-2-ethoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
PubChem CID43311398
Molecular FormulaC18H20BrNO
Molecular Weight346.27 g/mol
Exact Mass345.07
IUPAC Name(5-bromo-2-ethoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
SMILESCCOc1ccc(Br)cc1C(N)c1ccc2c(c1)CCC2
InChIInChI=1S/C18H20BrNO/c1-2-21-17-9-8-15(19)11-16(17)18(20)14-7-6-12-4-3-5-13(12)10-14/h6-11,18H,2-5,20H2,1H3
InChIKeyCKAWFIKOFMYYDX-UHFFFAOYSA-N
XLogP4.38
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-dibromophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 43097516
(4-bromo-2-methoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 115368857
(5-bromo-2-ethoxyphenyl)-thiophen-3-ylmethanamine
CID 43464834
1-(5-bromo-2-ethoxyphenyl)propan-1-amine
CID 43243938
(5-bromo-2-ethoxyphenyl)-cyclohexylmethanamine
CID 43311323
(S)-(5-bromo-2-ethoxyphenyl)-cyclopentylmethanamine;hydrochloride
CID 171226092
5-[chloro-(2-ethoxy-5-methylphenyl)methyl]-2,3-dihydro-1H-indene
CID 63444363
(3,5-dibromophenyl)-(2-ethoxy-5-methylphenyl)methanamine
CID 107979822
(R)-(5-bromo-2-ethoxyphenyl)-cyclopropylmethanamine;hydrochloride
CID 171206516
(1S)-1-(5-bromo-2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171226068
(R)-(5-bromo-2-ethoxyphenyl)-cyclohexylmethanamine;hydrochloride
CID 171206520
(2-bromophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 43115600

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-ethoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine?
The IUPAC name of (5-bromo-2-ethoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine (CID 43311398) is (5-bromo-2-ethoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine.
What is the SMILES notation for (5-bromo-2-ethoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine?
The canonical SMILES for (5-bromo-2-ethoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine is CCOc1ccc(Br)cc1C(N)c1ccc2c(c1)CCC2.
What is the InChIKey of (5-bromo-2-ethoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine?
The InChIKey is CKAWFIKOFMYYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO/c1-2-21-17-9-8-15(19)11-16(17)18(20)14-7-6-12-4-3-5-13(12)10-14/h6-11,18H,2-5,20H2,1H3.
What are the key properties of (5-bromo-2-ethoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine?
(5-bromo-2-ethoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine has a molecular weight of 346.27 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-ethoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine is sourced from PubChem (CID 43311398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).