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

C19H24BrN — CID 63416386

IUPAC1-(2-bromophenyl)-3-(3,5-dimethylphenyl)-N-ethylpropan-2-amine
SMILESCCNC(Cc1cc(C)cc(C)c1)Cc1ccccc1Br
InChIInChI=1S/C19H24BrN/c1-4-21-18(13-17-7-5-6-8-19(17)20)12-16-10-14(2)9-15(3)11-16/h5-11,18,21H,4,12-13H2,1-3H3
InChIKeyHIDNTFAGVRHZDH-UHFFFAOYSA-N
MW346.31 g/mol
LogP4.83
Rot. Bonds6

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

1-(2-bromophenyl)-3-(3,5-dimethylphenyl)-N-ethylpropan-2-amine (PubChem CID 63416386) has the molecular formula C19H24BrN and a molecular weight of 346.31 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-(3,5-dimethylphenyl)-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-(3,5-dimethylphenyl)-N-ethylpropan-2-amine
PubChem CID63416386
Molecular FormulaC19H24BrN
Molecular Weight346.31 g/mol
Exact Mass345.11
IUPAC Name1-(2-bromophenyl)-3-(3,5-dimethylphenyl)-N-ethylpropan-2-amine
SMILESCCNC(Cc1cc(C)cc(C)c1)Cc1ccccc1Br
InChIInChI=1S/C19H24BrN/c1-4-21-18(13-17-7-5-6-8-19(17)20)12-16-10-14(2)9-15(3)11-16/h5-11,18,21H,4,12-13H2,1-3H3
InChIKeyHIDNTFAGVRHZDH-UHFFFAOYSA-N
XLogP4.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chlorophenyl)-3-(3,5-dimethylphenyl)-N-ethylpropan-2-amine
CID 63415187
1-(2-bromophenyl)-3-(2-chloro-4-methylphenyl)-N-ethylpropan-2-amine
CID 106868115
3-(2-bromophenyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 79093309
1-(2-bromophenyl)-3-(2,6-dichlorophenyl)-N-ethylpropan-2-amine
CID 63415285
1-(2-bromophenyl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 105087369
1-(2-bromophenyl)-3-phenyl-N-propylpropan-2-amine
CID 60817947
1-(2-bromophenyl)-N-ethyl-4-methylhexan-2-amine
CID 63419614
1-(3,5-dimethylphenyl)-N-ethyl-3-pyridin-2-ylpropan-2-amine
CID 61028897
1-(2-bromophenyl)-3-(2-bromophenyl)sulfanyl-N-ethylpropan-2-amine
CID 66144284
1-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)-N-ethylpropan-2-amine
CID 55187580
1-(2-bromophenyl)-N-ethyl-4-methylheptan-2-amine
CID 63419613
1-(2-bromophenyl)-N-ethyl-5-methylhex-5-en-2-amine
CID 114474584

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-(3,5-dimethylphenyl)-N-ethylpropan-2-amine?
The IUPAC name of 1-(2-bromophenyl)-3-(3,5-dimethylphenyl)-N-ethylpropan-2-amine (CID 63416386) is 1-(2-bromophenyl)-3-(3,5-dimethylphenyl)-N-ethylpropan-2-amine.
What is the SMILES notation for 1-(2-bromophenyl)-3-(3,5-dimethylphenyl)-N-ethylpropan-2-amine?
The canonical SMILES for 1-(2-bromophenyl)-3-(3,5-dimethylphenyl)-N-ethylpropan-2-amine is CCNC(Cc1cc(C)cc(C)c1)Cc1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-3-(3,5-dimethylphenyl)-N-ethylpropan-2-amine?
The InChIKey is HIDNTFAGVRHZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN/c1-4-21-18(13-17-7-5-6-8-19(17)20)12-16-10-14(2)9-15(3)11-16/h5-11,18,21H,4,12-13H2,1-3H3.
What are the key properties of 1-(2-bromophenyl)-3-(3,5-dimethylphenyl)-N-ethylpropan-2-amine?
1-(2-bromophenyl)-3-(3,5-dimethylphenyl)-N-ethylpropan-2-amine has a molecular weight of 346.31 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-(3,5-dimethylphenyl)-N-ethylpropan-2-amine is sourced from PubChem (CID 63416386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).