3-[1-amino-2-(4-bromophenyl)ethyl]-N,N-dimethylaniline

C16H19BrN2 — CID 105089022

IUPAC3-[1-amino-2-(4-bromophenyl)ethyl]-N,N-dimethylaniline
SMILESCN(C)c1cccc(C(N)Cc2ccc(Br)cc2)c1
InChIInChI=1S/C16H19BrN2/c1-19(2)15-5-3-4-13(11-15)16(18)10-12-6-8-14(17)9-7-12/h3-9,11,16H,10,18H2,1-2H3
InChIKeySADJWKKILMAUMW-UHFFFAOYSA-N
MW319.25 g/mol
LogP3.76
Rot. Bonds4

About 3-[1-amino-2-(4-bromophenyl)ethyl]-N,N-dimethylaniline

3-[1-amino-2-(4-bromophenyl)ethyl]-N,N-dimethylaniline (PubChem CID 105089022) has the molecular formula C16H19BrN2 and a molecular weight of 319.25 g/mol. Its IUPAC name is 3-[1-amino-2-(4-bromophenyl)ethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[1-amino-2-(4-bromophenyl)ethyl]-N,N-dimethylaniline
PubChem CID105089022
Molecular FormulaC16H19BrN2
Molecular Weight319.25 g/mol
Exact Mass318.07
IUPAC Name3-[1-amino-2-(4-bromophenyl)ethyl]-N,N-dimethylaniline
SMILESCN(C)c1cccc(C(N)Cc2ccc(Br)cc2)c1
InChIInChI=1S/C16H19BrN2/c1-19(2)15-5-3-4-13(11-15)16(18)10-12-6-8-14(17)9-7-12/h3-9,11,16H,10,18H2,1-2H3
InChIKeySADJWKKILMAUMW-UHFFFAOYSA-N
XLogP3.76
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.25
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-amino-2-(4-bromo-2-fluorophenyl)ethyl]-N,N-dimethylaniline
CID 105137133
3-[1-amino-2-(3-methylphenyl)ethyl]-N,N-dimethylaniline
CID 105091075
3-[1-amino-2-(3-chloro-4-fluorophenyl)ethyl]-N,N-dimethylaniline
CID 103043235
(2R)-2-amino-2-[3-(dimethylamino)phenyl]ethanol;dihydrochloride
CID 146049704
2-(4-bromophenyl)-1-[3-(difluoromethoxy)phenyl]ethanamine
CID 61079788
1-(3-bromophenyl)-2-(4-chlorophenyl)ethanamine
CID 60819329
1-(3-bromo-4-methylphenyl)-2-(4-bromophenyl)ethanamine
CID 81471892
3-(1-amino-2-ethoxyethyl)-N,N-dimethylaniline
CID 105165045
2-(3-bromophenyl)-1-[3-(dimethylamino)phenyl]ethanol
CID 105077529
3-(1-amino-4-phenylbutyl)-N,N-dimethylaniline
CID 105139782
3-[1-amino-2-(2,4-dichlorophenyl)ethyl]-N,N-dimethylaniline
CID 105132494
3-[1-amino-2-(2-methoxyphenyl)ethyl]-N,N-dimethylaniline
CID 105107410

Frequently Asked Questions

What is the IUPAC name of 3-[1-amino-2-(4-bromophenyl)ethyl]-N,N-dimethylaniline?
The IUPAC name of 3-[1-amino-2-(4-bromophenyl)ethyl]-N,N-dimethylaniline (CID 105089022) is 3-[1-amino-2-(4-bromophenyl)ethyl]-N,N-dimethylaniline.
What is the SMILES notation for 3-[1-amino-2-(4-bromophenyl)ethyl]-N,N-dimethylaniline?
The canonical SMILES for 3-[1-amino-2-(4-bromophenyl)ethyl]-N,N-dimethylaniline is CN(C)c1cccc(C(N)Cc2ccc(Br)cc2)c1.
What is the InChIKey of 3-[1-amino-2-(4-bromophenyl)ethyl]-N,N-dimethylaniline?
The InChIKey is SADJWKKILMAUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2/c1-19(2)15-5-3-4-13(11-15)16(18)10-12-6-8-14(17)9-7-12/h3-9,11,16H,10,18H2,1-2H3.
What are the key properties of 3-[1-amino-2-(4-bromophenyl)ethyl]-N,N-dimethylaniline?
3-[1-amino-2-(4-bromophenyl)ethyl]-N,N-dimethylaniline has a molecular weight of 319.25 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-amino-2-(4-bromophenyl)ethyl]-N,N-dimethylaniline is sourced from PubChem (CID 105089022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).