2-[(1S)-1-aminoethyl]-N-[(2-bromophenyl)methyl]-N-methylaniline

C16H19BrN2 — CID 63369359

IUPAC2-[(1S)-1-aminoethyl]-N-[(2-bromophenyl)methyl]-N-methylaniline
SMILESC[C@H](N)c1ccccc1N(C)Cc1ccccc1Br
InChIInChI=1S/C16H19BrN2/c1-12(18)14-8-4-6-10-16(14)19(2)11-13-7-3-5-9-15(13)17/h3-10,12H,11,18H2,1-2H3/t12-/m0/s1
InChIKeyXIPUQYNEJDDVJP-LBPRGKRZSA-N
MW319.25 g/mol
LogP4.11
Rot. Bonds4

About 2-[(1S)-1-aminoethyl]-N-[(2-bromophenyl)methyl]-N-methylaniline

2-[(1S)-1-aminoethyl]-N-[(2-bromophenyl)methyl]-N-methylaniline (PubChem CID 63369359) has the molecular formula C16H19BrN2 and a molecular weight of 319.25 g/mol. Its IUPAC name is 2-[(1S)-1-aminoethyl]-N-[(2-bromophenyl)methyl]-N-methylaniline.

Molecular Properties

Compound Name2-[(1S)-1-aminoethyl]-N-[(2-bromophenyl)methyl]-N-methylaniline
PubChem CID63369359
Molecular FormulaC16H19BrN2
Molecular Weight319.25 g/mol
Exact Mass318.07
IUPAC Name2-[(1S)-1-aminoethyl]-N-[(2-bromophenyl)methyl]-N-methylaniline
SMILESC[C@H](N)c1ccccc1N(C)Cc1ccccc1Br
InChIInChI=1S/C16H19BrN2/c1-12(18)14-8-4-6-10-16(14)19(2)11-13-7-3-5-9-15(13)17/h3-10,12H,11,18H2,1-2H3/t12-/m0/s1
InChIKeyXIPUQYNEJDDVJP-LBPRGKRZSA-N
XLogP4.11
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 ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-aminoethyl)-N-[(2-bromophenyl)methyl]-3-fluoro-N-methylaniline
CID 61416480
4-(1-aminoethyl)-2-bromo-N-[(2-bromophenyl)methyl]-N-methylaniline
CID 63534132
1-N-[(2-bromophenyl)methyl]-2-(difluoromethyl)-1-N-methylbenzene-1,4-diamine
CID 63735129
1-N-[(2-bromophenyl)methyl]-1-N,3-dimethylbenzene-1,2-diamine
CID 114041193
2-[(1R)-1-aminoethyl]-N-[(4-chlorophenyl)methyl]-N-methylaniline
CID 78934580
2-(1-aminoethyl)-N-methyl-N-(pyridin-3-ylmethyl)aniline
CID 43563493
1-[2-[(1R)-1-aminoethyl]-N-methylanilino]propan-2-ol
CID 78935252
2-[(1R)-1-aminoethyl]-N-methyl-N-propylaniline
CID 78936089
1-[2-[(1S)-1-aminoethyl]-N-methylanilino]propan-2-ol
CID 63368989
2-[(2-bromophenyl)methyl-methylamino]benzenecarbothioamide
CID 61420434
N'-[2-(1-aminoethyl)phenyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63694909
2-(1-aminoethyl)-N-methyl-N-(2-methylbutyl)aniline
CID 43295960

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-aminoethyl]-N-[(2-bromophenyl)methyl]-N-methylaniline?
The IUPAC name of 2-[(1S)-1-aminoethyl]-N-[(2-bromophenyl)methyl]-N-methylaniline (CID 63369359) is 2-[(1S)-1-aminoethyl]-N-[(2-bromophenyl)methyl]-N-methylaniline.
What is the SMILES notation for 2-[(1S)-1-aminoethyl]-N-[(2-bromophenyl)methyl]-N-methylaniline?
The canonical SMILES for 2-[(1S)-1-aminoethyl]-N-[(2-bromophenyl)methyl]-N-methylaniline is C[C@H](N)c1ccccc1N(C)Cc1ccccc1Br.
What is the InChIKey of 2-[(1S)-1-aminoethyl]-N-[(2-bromophenyl)methyl]-N-methylaniline?
The InChIKey is XIPUQYNEJDDVJP-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H19BrN2/c1-12(18)14-8-4-6-10-16(14)19(2)11-13-7-3-5-9-15(13)17/h3-10,12H,11,18H2,1-2H3/t12-/m0/s1.
What are the key properties of 2-[(1S)-1-aminoethyl]-N-[(2-bromophenyl)methyl]-N-methylaniline?
2-[(1S)-1-aminoethyl]-N-[(2-bromophenyl)methyl]-N-methylaniline has a molecular weight of 319.25 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-aminoethyl]-N-[(2-bromophenyl)methyl]-N-methylaniline is sourced from PubChem (CID 63369359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).