N-[(1R)-1-(4-bromophenyl)ethyl]-N',N'-dimethylethane-1,2-diamine

C12H19BrN2 — CID 30111376

IUPACN-[(1R)-1-(4-bromophenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
SMILESC[C@@H](NCCN(C)C)c1ccc(Br)cc1
InChIInChI=1S/C12H19BrN2/c1-10(14-8-9-15(2)3)11-4-6-12(13)7-5-11/h4-7,10,14H,8-9H2,1-3H3/t10-/m1/s1
InChIKeyCDJNNXMSONTQBS-SNVBAGLBSA-N
MW271.20 g/mol
LogP2.66
Rot. Bonds5

About N-[(1R)-1-(4-bromophenyl)ethyl]-N',N'-dimethylethane-1,2-diamine

N-[(1R)-1-(4-bromophenyl)ethyl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 30111376) has the molecular formula C12H19BrN2 and a molecular weight of 271.20 g/mol. Its IUPAC name is N-[(1R)-1-(4-bromophenyl)ethyl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(1R)-1-(4-bromophenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
PubChem CID30111376
Molecular FormulaC12H19BrN2
Molecular Weight271.20 g/mol
Exact Mass270.07
IUPAC NameN-[(1R)-1-(4-bromophenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
SMILESC[C@@H](NCCN(C)C)c1ccc(Br)cc1
InChIInChI=1S/C12H19BrN2/c1-10(14-8-9-15(2)3)11-4-6-12(13)7-5-11/h4-7,10,14H,8-9H2,1-3H3/t10-/m1/s1
InChIKeyCDJNNXMSONTQBS-SNVBAGLBSA-N
XLogP2.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-bromophenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62636249
N-[1-(3-bromo-4-fluorophenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 43754836
N-[1-(2,4-dibromophenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 60781144
4-[1-[2-(dimethylamino)ethylamino]ethyl]benzenesulfonamide
CID 43754787
(1S)-1-(4-bromophenyl)-N-(2-methylsulfanylethyl)ethanamine
CID 104863352
(2S)-1-[[(1S)-1-(4-bromophenyl)ethyl]amino]propan-2-ol
CID 93082226
N-[(1S)-1-(4-bromophenyl)ethyl]-3,3,3-trifluoropropan-1-amine
CID 81359086
N-[1-(4-bromophenyl)ethyl]-5-methylhexan-1-amine
CID 113287271
N-[(1R)-1-(4-bromophenyl)ethyl]nonan-1-amine
CID 81359555
1-[[(1R)-1-(4-bromophenyl)ethyl]amino]-3-(dimethylamino)propan-2-ol
CID 81360198
[4-[1-[2-(dimethylamino)ethylamino]ethyl]phenyl]urea
CID 43754835
5-[[(1S)-1-(4-bromophenyl)ethyl]amino]pentan-1-ol
CID 81360207

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-N',N'-dimethylethane-1,2-diamine (CID 30111376) is N-[(1R)-1-(4-bromophenyl)ethyl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[(1R)-1-(4-bromophenyl)ethyl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[(1R)-1-(4-bromophenyl)ethyl]-N',N'-dimethylethane-1,2-diamine is C[C@@H](NCCN(C)C)c1ccc(Br)cc1.
What is the InChIKey of N-[(1R)-1-(4-bromophenyl)ethyl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is CDJNNXMSONTQBS-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H19BrN2/c1-10(14-8-9-15(2)3)11-4-6-12(13)7-5-11/h4-7,10,14H,8-9H2,1-3H3/t10-/m1/s1.
What are the key properties of N-[(1R)-1-(4-bromophenyl)ethyl]-N',N'-dimethylethane-1,2-diamine?
N-[(1R)-1-(4-bromophenyl)ethyl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 271.20 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-bromophenyl)ethyl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 30111376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).