2-[[2-amino-1-(3-bromophenyl)ethyl]-butylamino]ethanol

C14H23BrN2O — CID 55019534

IUPAC2-[[2-amino-1-(3-bromophenyl)ethyl]-butylamino]ethanol
SMILESCCCCN(CCO)C(CN)c1cccc(Br)c1
InChIInChI=1S/C14H23BrN2O/c1-2-3-7-17(8-9-18)14(11-16)12-5-4-6-13(15)10-12/h4-6,10,14,18H,2-3,7-9,11,16H2,1H3
InChIKeyRUJYQICXRJRYQH-UHFFFAOYSA-N
MW315.25 g/mol
LogP2.54
Rot. Bonds8

About 2-[[2-amino-1-(3-bromophenyl)ethyl]-butylamino]ethanol

2-[[2-amino-1-(3-bromophenyl)ethyl]-butylamino]ethanol (PubChem CID 55019534) has the molecular formula C14H23BrN2O and a molecular weight of 315.25 g/mol. Its IUPAC name is 2-[[2-amino-1-(3-bromophenyl)ethyl]-butylamino]ethanol.

Molecular Properties

Compound Name2-[[2-amino-1-(3-bromophenyl)ethyl]-butylamino]ethanol
PubChem CID55019534
Molecular FormulaC14H23BrN2O
Molecular Weight315.25 g/mol
Exact Mass314.10
IUPAC Name2-[[2-amino-1-(3-bromophenyl)ethyl]-butylamino]ethanol
SMILESCCCCN(CCO)C(CN)c1cccc(Br)c1
InChIInChI=1S/C14H23BrN2O/c1-2-3-7-17(8-9-18)14(11-16)12-5-4-6-13(15)10-12/h4-6,10,14,18H,2-3,7-9,11,16H2,1H3
InChIKeyRUJYQICXRJRYQH-UHFFFAOYSA-N
XLogP2.54
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.25
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-amino-1-(4-fluorophenyl)ethyl]-butylamino]ethanol
CID 55016257
2-[[2-amino-1-(4-methoxyphenyl)ethyl]-butylamino]ethanol
CID 55015957
1-(3-bromophenyl)-N-propan-2-yl-N-propylethane-1,2-diamine
CID 43269395
1-(3-bromophenyl)-N-(2-ethoxyethyl)-N-ethylethane-1,2-diamine
CID 63697349
2-[[2-amino-1-(3-bromophenyl)ethyl]-(2-methylpropyl)amino]acetamide
CID 55018046
1-(3-bromophenyl)-N-ethyl-N-propan-2-ylethane-1,2-diamine
CID 43265571
2-[[3-amino-3-(3-bromophenyl)propyl]-pentan-3-ylamino]ethanol
CID 62619127
N,N-dibutyl-1-pyridin-3-ylethane-1,2-diamine
CID 43125913
1-(3-bromophenyl)-N-(2-methylpropyl)-N-propan-2-ylethane-1,2-diamine
CID 55000910
2-[[2-amino-1-(3-chlorophenyl)propyl]-butylamino]ethanol
CID 55019360
1-(3-bromophenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112657494
3-[[3-amino-3-(3-bromophenyl)propyl]-propan-2-ylamino]propan-1-ol
CID 55099043

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-1-(3-bromophenyl)ethyl]-butylamino]ethanol?
The IUPAC name of 2-[[2-amino-1-(3-bromophenyl)ethyl]-butylamino]ethanol (CID 55019534) is 2-[[2-amino-1-(3-bromophenyl)ethyl]-butylamino]ethanol.
What is the SMILES notation for 2-[[2-amino-1-(3-bromophenyl)ethyl]-butylamino]ethanol?
The canonical SMILES for 2-[[2-amino-1-(3-bromophenyl)ethyl]-butylamino]ethanol is CCCCN(CCO)C(CN)c1cccc(Br)c1.
What is the InChIKey of 2-[[2-amino-1-(3-bromophenyl)ethyl]-butylamino]ethanol?
The InChIKey is RUJYQICXRJRYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2O/c1-2-3-7-17(8-9-18)14(11-16)12-5-4-6-13(15)10-12/h4-6,10,14,18H,2-3,7-9,11,16H2,1H3.
What are the key properties of 2-[[2-amino-1-(3-bromophenyl)ethyl]-butylamino]ethanol?
2-[[2-amino-1-(3-bromophenyl)ethyl]-butylamino]ethanol has a molecular weight of 315.25 g/mol, XLogP of 2.54, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-1-(3-bromophenyl)ethyl]-butylamino]ethanol is sourced from PubChem (CID 55019534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).