2-(aminomethyl)-N-[(3-bromophenyl)methyl]-N-methyl-1,3-dihydroinden-2-amine

C18H21BrN2 — CID 61415233

IUPAC2-(aminomethyl)-N-[(3-bromophenyl)methyl]-N-methyl-1,3-dihydroinden-2-amine
SMILESCN(Cc1cccc(Br)c1)C1(CN)Cc2ccccc2C1
InChIInChI=1S/C18H21BrN2/c1-21(12-14-5-4-8-17(19)9-14)18(13-20)10-15-6-2-3-7-16(15)11-18/h2-9H,10-13,20H2,1H3
InChIKeyHWZHTEUVJLUEOX-UHFFFAOYSA-N
MW345.28 g/mol
LogP3.38
Rot. Bonds4

About 2-(aminomethyl)-N-[(3-bromophenyl)methyl]-N-methyl-1,3-dihydroinden-2-amine

2-(aminomethyl)-N-[(3-bromophenyl)methyl]-N-methyl-1,3-dihydroinden-2-amine (PubChem CID 61415233) has the molecular formula C18H21BrN2 and a molecular weight of 345.28 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(3-bromophenyl)methyl]-N-methyl-1,3-dihydroinden-2-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(3-bromophenyl)methyl]-N-methyl-1,3-dihydroinden-2-amine
PubChem CID61415233
Molecular FormulaC18H21BrN2
Molecular Weight345.28 g/mol
Exact Mass344.09
IUPAC Name2-(aminomethyl)-N-[(3-bromophenyl)methyl]-N-methyl-1,3-dihydroinden-2-amine
SMILESCN(Cc1cccc(Br)c1)C1(CN)Cc2ccccc2C1
InChIInChI=1S/C18H21BrN2/c1-21(12-14-5-4-8-17(19)9-14)18(13-20)10-15-6-2-3-7-16(15)11-18/h2-9H,10-13,20H2,1H3
InChIKeyHWZHTEUVJLUEOX-UHFFFAOYSA-N
XLogP3.38
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.28
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-N-[(4-bromophenyl)methyl]-N-methyl-1,3-dihydroinden-2-amine
CID 61415914
1-(aminomethyl)-N-[(3-bromophenyl)methyl]-3-methoxy-N-methylcyclobutan-1-amine
CID 106821849
3-(aminomethyl)-N-[(3-bromophenyl)methyl]-N-methyloxolan-3-amine
CID 63335444
4-(aminomethyl)-N-[(3-bromophenyl)methyl]-N-methyloxepan-4-amine
CID 65079383
1-(aminomethyl)-N-[(3-bromophenyl)methyl]-N,3,3,5-tetramethylcyclohexan-1-amine
CID 63470621
1-(aminomethyl)-N-benzyl-N-methylcyclopropan-1-amine
CID 106661010
3-(aminomethyl)-N-[(3-bromophenyl)methyl]-N,2-dimethyloxolan-3-amine
CID 82717967
1-[[(3-bromophenyl)methyl-methylamino]methyl]cyclopropan-1-amine
CID 65457727
2-(aminomethyl)-6-bromo-N-(furan-3-ylmethyl)-N-methyl-3,4-dihydro-1H-naphthalen-2-amine
CID 63631153
N'-[(3-bromophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 61415516
N'-[(3-bromophenyl)methyl]-N'-methylbutane-1,4-diamine
CID 61415517
1-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methylcyclopropan-1-amine
CID 106661100

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(3-bromophenyl)methyl]-N-methyl-1,3-dihydroinden-2-amine?
The IUPAC name of 2-(aminomethyl)-N-[(3-bromophenyl)methyl]-N-methyl-1,3-dihydroinden-2-amine (CID 61415233) is 2-(aminomethyl)-N-[(3-bromophenyl)methyl]-N-methyl-1,3-dihydroinden-2-amine.
What is the SMILES notation for 2-(aminomethyl)-N-[(3-bromophenyl)methyl]-N-methyl-1,3-dihydroinden-2-amine?
The canonical SMILES for 2-(aminomethyl)-N-[(3-bromophenyl)methyl]-N-methyl-1,3-dihydroinden-2-amine is CN(Cc1cccc(Br)c1)C1(CN)Cc2ccccc2C1.
What is the InChIKey of 2-(aminomethyl)-N-[(3-bromophenyl)methyl]-N-methyl-1,3-dihydroinden-2-amine?
The InChIKey is HWZHTEUVJLUEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2/c1-21(12-14-5-4-8-17(19)9-14)18(13-20)10-15-6-2-3-7-16(15)11-18/h2-9H,10-13,20H2,1H3.
What are the key properties of 2-(aminomethyl)-N-[(3-bromophenyl)methyl]-N-methyl-1,3-dihydroinden-2-amine?
2-(aminomethyl)-N-[(3-bromophenyl)methyl]-N-methyl-1,3-dihydroinden-2-amine has a molecular weight of 345.28 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(3-bromophenyl)methyl]-N-methyl-1,3-dihydroinden-2-amine is sourced from PubChem (CID 61415233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).