4-[[2-amino-1-(4-bromo-3-methylphenyl)ethyl]amino]pentan-2-ol

C14H23BrN2O — CID 113376154

IUPAC4-[[2-amino-1-(4-bromo-3-methylphenyl)ethyl]amino]pentan-2-ol
SMILESCc1cc(C(CN)NC(C)CC(C)O)ccc1Br
InChIInChI=1S/C14H23BrN2O/c1-9-6-12(4-5-13(9)15)14(8-16)17-10(2)7-11(3)18/h4-6,10-11,14,17-18H,7-8,16H2,1-3H3
InChIKeyPZAJZLYWMRONIA-UHFFFAOYSA-N
MW315.26 g/mol
LogP2.51
Rot. Bonds6

About 4-[[2-amino-1-(4-bromo-3-methylphenyl)ethyl]amino]pentan-2-ol

4-[[2-amino-1-(4-bromo-3-methylphenyl)ethyl]amino]pentan-2-ol (PubChem CID 113376154) has the molecular formula C14H23BrN2O and a molecular weight of 315.26 g/mol. Its IUPAC name is 4-[[2-amino-1-(4-bromo-3-methylphenyl)ethyl]amino]pentan-2-ol.

Molecular Properties

Compound Name4-[[2-amino-1-(4-bromo-3-methylphenyl)ethyl]amino]pentan-2-ol
PubChem CID113376154
Molecular FormulaC14H23BrN2O
Molecular Weight315.26 g/mol
Exact Mass314.10
IUPAC Name4-[[2-amino-1-(4-bromo-3-methylphenyl)ethyl]amino]pentan-2-ol
SMILESCc1cc(C(CN)NC(C)CC(C)O)ccc1Br
InChIInChI=1S/C14H23BrN2O/c1-9-6-12(4-5-13(9)15)14(8-16)17-10(2)7-11(3)18/h4-6,10-11,14,17-18H,7-8,16H2,1-3H3
InChIKeyPZAJZLYWMRONIA-UHFFFAOYSA-N
XLogP2.51
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.26
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-4-(4-bromo-3-methylphenyl)pentan-2-ol
CID 81421956
5-[1-(4-bromo-3-methylphenyl)ethylamino]-4-methylpentan-2-ol
CID 110010765
1-(4-bromo-3-methylphenyl)-N-cyclopropylethane-1,2-diamine
CID 66475041
1-(4-bromo-3-methylphenyl)-N-(4-bromophenyl)ethane-1,2-diamine
CID 66481166
1-(3,4-dimethylphenyl)-N-propan-2-ylethane-1,2-diamine
CID 62070144
1-amino-4-(4-bromo-3-methylphenyl)hexan-2-ol
CID 83936364
2-amino-1-(4-bromo-3-methylphenyl)-4-methylpentan-1-ol
CID 66480993
1-(4-bromo-3-methylphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine
CID 83011981
1-(4-bromo-3-methylphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 66480167
1-(4-bromo-3-methylphenyl)-N-(2,6-dimethylpiperidin-1-yl)ethane-1,2-diamine
CID 83010618
1-(4-bromo-3-methylphenyl)ethylhydrazine
CID 53402303
2-N-(4-bromo-3-methylphenyl)propane-1,2-diamine
CID 103387117

Frequently Asked Questions

What is the IUPAC name of 4-[[2-amino-1-(4-bromo-3-methylphenyl)ethyl]amino]pentan-2-ol?
The IUPAC name of 4-[[2-amino-1-(4-bromo-3-methylphenyl)ethyl]amino]pentan-2-ol (CID 113376154) is 4-[[2-amino-1-(4-bromo-3-methylphenyl)ethyl]amino]pentan-2-ol.
What is the SMILES notation for 4-[[2-amino-1-(4-bromo-3-methylphenyl)ethyl]amino]pentan-2-ol?
The canonical SMILES for 4-[[2-amino-1-(4-bromo-3-methylphenyl)ethyl]amino]pentan-2-ol is Cc1cc(C(CN)NC(C)CC(C)O)ccc1Br.
What is the InChIKey of 4-[[2-amino-1-(4-bromo-3-methylphenyl)ethyl]amino]pentan-2-ol?
The InChIKey is PZAJZLYWMRONIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2O/c1-9-6-12(4-5-13(9)15)14(8-16)17-10(2)7-11(3)18/h4-6,10-11,14,17-18H,7-8,16H2,1-3H3.
What are the key properties of 4-[[2-amino-1-(4-bromo-3-methylphenyl)ethyl]amino]pentan-2-ol?
4-[[2-amino-1-(4-bromo-3-methylphenyl)ethyl]amino]pentan-2-ol has a molecular weight of 315.26 g/mol, XLogP of 2.51, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-amino-1-(4-bromo-3-methylphenyl)ethyl]amino]pentan-2-ol is sourced from PubChem (CID 113376154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).