N-[[4-(2-bromophenyl)-3-methylphenyl]methyl]propan-2-amine

C17H20BrN — CID 115503587

IUPACN-[[4-(2-bromophenyl)-3-methylphenyl]methyl]propan-2-amine
SMILESCc1cc(CNC(C)C)ccc1-c1ccccc1Br
InChIInChI=1S/C17H20BrN/c1-12(2)19-11-14-8-9-15(13(3)10-14)16-6-4-5-7-17(16)18/h4-10,12,19H,11H2,1-3H3
InChIKeyQIIQGECUNXTLFQ-UHFFFAOYSA-N
MW318.26 g/mol
LogP4.92
Rot. Bonds4

About N-[[4-(2-bromophenyl)-3-methylphenyl]methyl]propan-2-amine

N-[[4-(2-bromophenyl)-3-methylphenyl]methyl]propan-2-amine (PubChem CID 115503587) has the molecular formula C17H20BrN and a molecular weight of 318.26 g/mol. Its IUPAC name is N-[[4-(2-bromophenyl)-3-methylphenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(2-bromophenyl)-3-methylphenyl]methyl]propan-2-amine
PubChem CID115503587
Molecular FormulaC17H20BrN
Molecular Weight318.26 g/mol
Exact Mass317.08
IUPAC NameN-[[4-(2-bromophenyl)-3-methylphenyl]methyl]propan-2-amine
SMILESCc1cc(CNC(C)C)ccc1-c1ccccc1Br
InChIInChI=1S/C17H20BrN/c1-12(2)19-11-14-8-9-15(13(3)10-14)16-6-4-5-7-17(16)18/h4-10,12,19H,11H2,1-3H3
InChIKeyQIIQGECUNXTLFQ-UHFFFAOYSA-N
XLogP4.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.26
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[3-(2-bromophenyl)-4-methylphenyl]methyl]propan-2-amine
CID 105409340
N-[[4-(2,5-dimethylphenyl)-3-methylphenyl]methyl]propan-2-amine
CID 66481228
N-[[4-(4-ethylphenyl)-3-methylphenyl]methyl]propan-2-amine
CID 66480830
N-[[3-methyl-4-(3-propylphenyl)phenyl]methyl]propan-2-amine
CID 116545316
N-[[3-(2-fluorophenyl)-4-methylphenyl]methyl]propan-2-amine
CID 105408608
N-[[4-(2-chloro-5-fluorophenyl)-3-methylphenyl]methyl]propan-2-amine
CID 105395728
N-[[4-methyl-3-(2,4,5-trimethylphenyl)phenyl]methyl]propan-2-amine
CID 105408916
N-[[4-(3-fluoro-5-methylphenyl)-3-methylphenyl]methyl]propan-2-amine
CID 79692007
N,N-dimethyl-4-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]aniline
CID 66481601
N-[(3-methyl-4-phenylsulfanylphenyl)methyl]propan-2-amine
CID 63805209
(1R)-N-[(4-bromo-3-methylphenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 81373666
N-[(4-bromo-3-methylphenyl)methyl]-3-methylbutan-2-amine
CID 66472384

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-bromophenyl)-3-methylphenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(2-bromophenyl)-3-methylphenyl]methyl]propan-2-amine (CID 115503587) is N-[[4-(2-bromophenyl)-3-methylphenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(2-bromophenyl)-3-methylphenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(2-bromophenyl)-3-methylphenyl]methyl]propan-2-amine is Cc1cc(CNC(C)C)ccc1-c1ccccc1Br.
What is the InChIKey of N-[[4-(2-bromophenyl)-3-methylphenyl]methyl]propan-2-amine?
The InChIKey is QIIQGECUNXTLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN/c1-12(2)19-11-14-8-9-15(13(3)10-14)16-6-4-5-7-17(16)18/h4-10,12,19H,11H2,1-3H3.
What are the key properties of N-[[4-(2-bromophenyl)-3-methylphenyl]methyl]propan-2-amine?
N-[[4-(2-bromophenyl)-3-methylphenyl]methyl]propan-2-amine has a molecular weight of 318.26 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-bromophenyl)-3-methylphenyl]methyl]propan-2-amine is sourced from PubChem (CID 115503587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).