4-bromo-3-methyl-N-(2-phenylpropyl)aniline

C16H18BrN — CID 43102221

IUPAC4-bromo-3-methyl-N-(2-phenylpropyl)aniline
SMILESCc1cc(NCC(C)c2ccccc2)ccc1Br
InChIInChI=1S/C16H18BrN/c1-12-10-15(8-9-16(12)17)18-11-13(2)14-6-4-3-5-7-14/h3-10,13,18H,11H2,1-2H3
InChIKeySRXAMYKFTJAVPO-UHFFFAOYSA-N
MW304.23 g/mol
LogP4.97
Rot. Bonds4

About 4-bromo-3-methyl-N-(2-phenylpropyl)aniline

4-bromo-3-methyl-N-(2-phenylpropyl)aniline (PubChem CID 43102221) has the molecular formula C16H18BrN and a molecular weight of 304.23 g/mol. Its IUPAC name is 4-bromo-3-methyl-N-(2-phenylpropyl)aniline.

Molecular Properties

Compound Name4-bromo-3-methyl-N-(2-phenylpropyl)aniline
PubChem CID43102221
Molecular FormulaC16H18BrN
Molecular Weight304.23 g/mol
Exact Mass303.06
IUPAC Name4-bromo-3-methyl-N-(2-phenylpropyl)aniline
SMILESCc1cc(NCC(C)c2ccccc2)ccc1Br
InChIInChI=1S/C16H18BrN/c1-12-10-15(8-9-16(12)17)18-11-13(2)14-6-4-3-5-7-14/h3-10,13,18H,11H2,1-2H3
InChIKeySRXAMYKFTJAVPO-UHFFFAOYSA-N
XLogP4.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.23
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-4-iodo-N-(2-phenylpropyl)aniline
CID 114261902
3-N,3-N,4-trimethyl-1-N-(2-phenylpropyl)benzene-1,3-diamine
CID 115376642
5-methyl-3-N-(2-phenylpropyl)benzene-1,3-diamine
CID 113430182
(2R)-3-(4-bromo-3-methylanilino)propane-1,2-diol
CID 70935022
3-N-(2-phenylpropyl)benzene-1,3-diamine
CID 104591278
2-amino-3-(4-bromo-3-methylanilino)propanamide
CID 103232914
1-(4-bromo-3-methylphenyl)-3-(1-phenylethyl)urea
CID 47194369
2,4,6-trimethyl-N-(2-phenylpropyl)aniline
CID 55192336
1-amino-3-(4-bromo-3-methylanilino)propan-2-ol
CID 82044855
N-[2-(4-bromo-3-methylphenoxy)propyl]aniline
CID 83140021
4-bromo-N-[(2-bromophenyl)methyl]-3-methylaniline
CID 28537521
2-(4-bromo-3-methylanilino)-1-(4-chlorophenyl)ethanol
CID 60724940

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methyl-N-(2-phenylpropyl)aniline?
The IUPAC name of 4-bromo-3-methyl-N-(2-phenylpropyl)aniline (CID 43102221) is 4-bromo-3-methyl-N-(2-phenylpropyl)aniline.
What is the SMILES notation for 4-bromo-3-methyl-N-(2-phenylpropyl)aniline?
The canonical SMILES for 4-bromo-3-methyl-N-(2-phenylpropyl)aniline is Cc1cc(NCC(C)c2ccccc2)ccc1Br.
What is the InChIKey of 4-bromo-3-methyl-N-(2-phenylpropyl)aniline?
The InChIKey is SRXAMYKFTJAVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN/c1-12-10-15(8-9-16(12)17)18-11-13(2)14-6-4-3-5-7-14/h3-10,13,18H,11H2,1-2H3.
What are the key properties of 4-bromo-3-methyl-N-(2-phenylpropyl)aniline?
4-bromo-3-methyl-N-(2-phenylpropyl)aniline has a molecular weight of 304.23 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-methyl-N-(2-phenylpropyl)aniline is sourced from PubChem (CID 43102221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).