N-[3-bromo-2-(methoxymethyl)phenyl]-5-chloro-2,3-dihydro-1H-inden-2-amine

C17H17BrClNO — CID 115348973

IUPACN-[3-bromo-2-(methoxymethyl)phenyl]-5-chloro-2,3-dihydro-1H-inden-2-amine
SMILESCOCc1c(Br)cccc1NC1Cc2ccc(Cl)cc2C1
InChIInChI=1S/C17H17BrClNO/c1-21-10-15-16(18)3-2-4-17(15)20-14-8-11-5-6-13(19)7-12(11)9-14/h2-7,14,20H,8-10H2,1H3
InChIKeyHORXIMDXLGETFF-UHFFFAOYSA-N
MW366.69 g/mol
LogP4.83
Rot. Bonds4

About N-[3-bromo-2-(methoxymethyl)phenyl]-5-chloro-2,3-dihydro-1H-inden-2-amine

N-[3-bromo-2-(methoxymethyl)phenyl]-5-chloro-2,3-dihydro-1H-inden-2-amine (PubChem CID 115348973) has the molecular formula C17H17BrClNO and a molecular weight of 366.69 g/mol. Its IUPAC name is N-[3-bromo-2-(methoxymethyl)phenyl]-5-chloro-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-[3-bromo-2-(methoxymethyl)phenyl]-5-chloro-2,3-dihydro-1H-inden-2-amine
PubChem CID115348973
Molecular FormulaC17H17BrClNO
Molecular Weight366.69 g/mol
Exact Mass365.02
IUPAC NameN-[3-bromo-2-(methoxymethyl)phenyl]-5-chloro-2,3-dihydro-1H-inden-2-amine
SMILESCOCc1c(Br)cccc1NC1Cc2ccc(Cl)cc2C1
InChIInChI=1S/C17H17BrClNO/c1-21-10-15-16(18)3-2-4-17(15)20-14-8-11-5-6-13(19)7-12(11)9-14/h2-7,14,20H,8-10H2,1H3
InChIKeyHORXIMDXLGETFF-UHFFFAOYSA-N
XLogP4.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.69
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-[2-(2-methoxyethyl)phenyl]-2,3-dihydro-1H-inden-2-amine
CID 102848942
N-(5-chloro-2,3-dihydro-1H-inden-2-yl)naphthalen-1-amine
CID 115348592
N-(2-bromo-4-methylphenyl)-5-chloro-2,3-dihydro-1H-inden-2-amine
CID 115348594
N-[3-bromo-2-(methoxymethyl)phenyl]-2,2-dimethyl-1,3-dioxan-5-amine
CID 106658673
N-[3-bromo-2-(methoxymethyl)phenyl]-1-oxothian-4-amine
CID 54981971
5-chloro-N-(2-ethoxyphenyl)-2,3-dihydro-1H-inden-2-amine
CID 115348600
3-bromo-N-(3-cyclopropylcyclohexyl)-2-(methoxymethyl)aniline
CID 64624414
N-[3-bromo-2-(methoxymethyl)phenyl]azepan-4-amine
CID 103981751
N-(2-bromo-5-fluorophenyl)-5-chloro-2,3-dihydro-1H-inden-2-amine
CID 107632769
5-chloro-N-(5-chloro-2-methylphenyl)-2,3-dihydro-1H-inden-2-amine
CID 115348580
5-chloro-N-(2,6-dichlorophenyl)-2,3-dihydro-1H-inden-2-amine
CID 115349088
N-[3-bromo-2-(methoxymethyl)phenyl]adamantan-2-amine
CID 63452783

Frequently Asked Questions

What is the IUPAC name of N-[3-bromo-2-(methoxymethyl)phenyl]-5-chloro-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-[3-bromo-2-(methoxymethyl)phenyl]-5-chloro-2,3-dihydro-1H-inden-2-amine (CID 115348973) is N-[3-bromo-2-(methoxymethyl)phenyl]-5-chloro-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-[3-bromo-2-(methoxymethyl)phenyl]-5-chloro-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-[3-bromo-2-(methoxymethyl)phenyl]-5-chloro-2,3-dihydro-1H-inden-2-amine is COCc1c(Br)cccc1NC1Cc2ccc(Cl)cc2C1.
What is the InChIKey of N-[3-bromo-2-(methoxymethyl)phenyl]-5-chloro-2,3-dihydro-1H-inden-2-amine?
The InChIKey is HORXIMDXLGETFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrClNO/c1-21-10-15-16(18)3-2-4-17(15)20-14-8-11-5-6-13(19)7-12(11)9-14/h2-7,14,20H,8-10H2,1H3.
What are the key properties of N-[3-bromo-2-(methoxymethyl)phenyl]-5-chloro-2,3-dihydro-1H-inden-2-amine?
N-[3-bromo-2-(methoxymethyl)phenyl]-5-chloro-2,3-dihydro-1H-inden-2-amine has a molecular weight of 366.69 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-bromo-2-(methoxymethyl)phenyl]-5-chloro-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 115348973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).