1-(2-bromophenyl)-3-(2,5-dimethylphenyl)-N-methylpropan-2-amine

C18H22BrN — CID 63420181

IUPAC1-(2-bromophenyl)-3-(2,5-dimethylphenyl)-N-methylpropan-2-amine
SMILESCNC(Cc1cc(C)ccc1C)Cc1ccccc1Br
InChIInChI=1S/C18H22BrN/c1-13-8-9-14(2)16(10-13)12-17(20-3)11-15-6-4-5-7-18(15)19/h4-10,17,20H,11-12H2,1-3H3
InChIKeyKCCPYIQLVBWDAV-UHFFFAOYSA-N
MW332.29 g/mol
LogP4.44
Rot. Bonds5

About 1-(2-bromophenyl)-3-(2,5-dimethylphenyl)-N-methylpropan-2-amine

1-(2-bromophenyl)-3-(2,5-dimethylphenyl)-N-methylpropan-2-amine (PubChem CID 63420181) has the molecular formula C18H22BrN and a molecular weight of 332.29 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-(2,5-dimethylphenyl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-(2,5-dimethylphenyl)-N-methylpropan-2-amine
PubChem CID63420181
Molecular FormulaC18H22BrN
Molecular Weight332.29 g/mol
Exact Mass331.09
IUPAC Name1-(2-bromophenyl)-3-(2,5-dimethylphenyl)-N-methylpropan-2-amine
SMILESCNC(Cc1cc(C)ccc1C)Cc1ccccc1Br
InChIInChI=1S/C18H22BrN/c1-13-8-9-14(2)16(10-13)12-17(20-3)11-15-6-4-5-7-18(15)19/h4-10,17,20H,11-12H2,1-3H3
InChIKeyKCCPYIQLVBWDAV-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.29
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-[(2-bromophenyl)methyl]-3-chloropropyl]-1,4-dimethylbenzene
CID 66050801
1-(2,5-dimethylphenyl)-N-methylpent-4-yn-2-amine
CID 114977590
1-(2,5-dimethylphenyl)-3-(3-fluorophenyl)-N-methylpropan-2-amine
CID 61481696
2-[2-(2-bromophenyl)-2-chloroethyl]-1,4-dimethylbenzene
CID 55224263
1-(2,5-dimethylphenyl)-3-(4-methoxyphenyl)-N-methylpropan-2-amine
CID 61481786
1-(2,5-dimethylphenyl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65135800
1-(2,5-dimethylphenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylpropan-2-amine
CID 105019818
1-(3-bromophenyl)-N-methyl-3-(2-methylphenyl)propan-2-amine
CID 60819427
[1-(2,5-dimethylphenyl)-3-(2-fluorophenyl)propan-2-yl]hydrazine
CID 105206860
1-(2-bromophenyl)-3-(2-chloro-4-methylphenyl)-N-ethylpropan-2-amine
CID 106868115
1-(2,5-dimethylphenyl)-3-(1H-imidazol-2-yl)-N-methylpropan-2-amine
CID 62538180
[1-(2-bromo-5-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-yl]hydrazine
CID 105297115

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-(2,5-dimethylphenyl)-N-methylpropan-2-amine?
The IUPAC name of 1-(2-bromophenyl)-3-(2,5-dimethylphenyl)-N-methylpropan-2-amine (CID 63420181) is 1-(2-bromophenyl)-3-(2,5-dimethylphenyl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(2-bromophenyl)-3-(2,5-dimethylphenyl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(2-bromophenyl)-3-(2,5-dimethylphenyl)-N-methylpropan-2-amine is CNC(Cc1cc(C)ccc1C)Cc1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-3-(2,5-dimethylphenyl)-N-methylpropan-2-amine?
The InChIKey is KCCPYIQLVBWDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN/c1-13-8-9-14(2)16(10-13)12-17(20-3)11-15-6-4-5-7-18(15)19/h4-10,17,20H,11-12H2,1-3H3.
What are the key properties of 1-(2-bromophenyl)-3-(2,5-dimethylphenyl)-N-methylpropan-2-amine?
1-(2-bromophenyl)-3-(2,5-dimethylphenyl)-N-methylpropan-2-amine has a molecular weight of 332.29 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-(2,5-dimethylphenyl)-N-methylpropan-2-amine is sourced from PubChem (CID 63420181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).