N-[(3-bromo-4-chlorophenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]ethanamine

C18H19BrClN — CID 107998636

IUPACN-[(3-bromo-4-chlorophenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)c(Br)c1)c1ccc2c(c1)CCC2
InChIInChI=1S/C18H19BrClN/c1-2-21-18(15-8-9-17(20)16(19)11-15)14-7-6-12-4-3-5-13(12)10-14/h6-11,18,21H,2-5H2,1H3
InChIKeyBWMGSRSLADEYQS-UHFFFAOYSA-N
MW364.71 g/mol
LogP5.29
Rot. Bonds4

About N-[(3-bromo-4-chlorophenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]ethanamine

N-[(3-bromo-4-chlorophenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]ethanamine (PubChem CID 107998636) has the molecular formula C18H19BrClN and a molecular weight of 364.71 g/mol. Its IUPAC name is N-[(3-bromo-4-chlorophenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-bromo-4-chlorophenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]ethanamine
PubChem CID107998636
Molecular FormulaC18H19BrClN
Molecular Weight364.71 g/mol
Exact Mass363.04
IUPAC NameN-[(3-bromo-4-chlorophenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)c(Br)c1)c1ccc2c(c1)CCC2
InChIInChI=1S/C18H19BrClN/c1-2-21-18(15-8-9-17(20)16(19)11-15)14-7-6-12-4-3-5-13(12)10-14/h6-11,18,21H,2-5H2,1H3
InChIKeyBWMGSRSLADEYQS-UHFFFAOYSA-N
XLogP5.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.71
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-chlorophenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]ethanamine
CID 43488967
N-[(3-bromo-5-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]ethanamine
CID 104851214
N-[(3-bromo-4-chlorophenyl)-(3,4-dimethylphenyl)methyl]ethanamine
CID 115567471
N-[(2-chlorophenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]ethanamine
CID 43488296
N-[(3-bromo-4-chlorophenyl)-(3-methylphenyl)methyl]ethanamine
CID 115567422
N-[(3-bromo-4-chlorophenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 113337190
N-[(3-bromo-4-chlorophenyl)-(5-methylfuran-2-yl)methyl]ethanamine
CID 107998702
N-[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]ethanamine
CID 43416858
N-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(2,3-dihydro-1H-inden-5-yl)methyl]ethanamine
CID 43491715
N-[2,3-dihydro-1H-inden-5-yl(furan-2-yl)methyl]ethanamine
CID 43491712
N-[2,3-dihydro-1H-inden-5-yl-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 43488394
N-[2,3-dihydro-1H-inden-5-yl-(2-methoxyphenyl)methyl]ethanamine
CID 43491773

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-chlorophenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]ethanamine?
The IUPAC name of N-[(3-bromo-4-chlorophenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]ethanamine (CID 107998636) is N-[(3-bromo-4-chlorophenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-bromo-4-chlorophenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-bromo-4-chlorophenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]ethanamine is CCNC(c1ccc(Cl)c(Br)c1)c1ccc2c(c1)CCC2.
What is the InChIKey of N-[(3-bromo-4-chlorophenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]ethanamine?
The InChIKey is BWMGSRSLADEYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrClN/c1-2-21-18(15-8-9-17(20)16(19)11-15)14-7-6-12-4-3-5-13(12)10-14/h6-11,18,21H,2-5H2,1H3.
What are the key properties of N-[(3-bromo-4-chlorophenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]ethanamine?
N-[(3-bromo-4-chlorophenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]ethanamine has a molecular weight of 364.71 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-chlorophenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]ethanamine is sourced from PubChem (CID 107998636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).