2-amino-1-(4-bromo-3-methylphenyl)-4-methylpentan-1-ol

C13H20BrNO — CID 66480993

IUPAC2-amino-1-(4-bromo-3-methylphenyl)-4-methylpentan-1-ol
SMILESCc1cc(C(O)C(N)CC(C)C)ccc1Br
InChIInChI=1S/C13H20BrNO/c1-8(2)6-12(15)13(16)10-4-5-11(14)9(3)7-10/h4-5,7-8,12-13,16H,6,15H2,1-3H3
InChIKeyOCAHQHGGGVCXFZ-UHFFFAOYSA-N
MW286.21 g/mol
LogP3.16
Rot. Bonds4

About 2-amino-1-(4-bromo-3-methylphenyl)-4-methylpentan-1-ol

2-amino-1-(4-bromo-3-methylphenyl)-4-methylpentan-1-ol (PubChem CID 66480993) has the molecular formula C13H20BrNO and a molecular weight of 286.21 g/mol. Its IUPAC name is 2-amino-1-(4-bromo-3-methylphenyl)-4-methylpentan-1-ol.

Molecular Properties

Compound Name2-amino-1-(4-bromo-3-methylphenyl)-4-methylpentan-1-ol
PubChem CID66480993
Molecular FormulaC13H20BrNO
Molecular Weight286.21 g/mol
Exact Mass285.07
IUPAC Name2-amino-1-(4-bromo-3-methylphenyl)-4-methylpentan-1-ol
SMILESCc1cc(C(O)C(N)CC(C)C)ccc1Br
InChIInChI=1S/C13H20BrNO/c1-8(2)6-12(15)13(16)10-4-5-11(14)9(3)7-10/h4-5,7-8,12-13,16H,6,15H2,1-3H3
InChIKeyOCAHQHGGGVCXFZ-UHFFFAOYSA-N
XLogP3.16
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(4-bromo-3-fluorophenyl)-4-methylpentan-1-ol
CID 81437103
2-amino-4-methyl-1-(4-propan-2-ylphenyl)pentan-1-ol
CID 62763785
5-amino-4-(4-bromo-3-methylphenyl)pentan-2-ol
CID 81421956
(1R)-1-(4-bromo-3-methylphenyl)-5-methylhexan-1-ol
CID 124567296
2-amino-1-(3-chloro-4-fluorophenyl)-4-methylpentan-1-ol
CID 81152208
1-(4-bromo-3-methylphenyl)-4-sulfanylbutane-1,2-diol
CID 171875156
4-(2-amino-1-hydroxy-4-methylpentyl)-2-methoxyphenol
CID 55112135
4-(4-bromo-3-methylphenyl)-3,4-dihydroxybutanenitrile
CID 171902029
2-amino-4-methyl-1-(2,4,5-trimethylphenyl)pentan-1-ol
CID 114078248
4-[[2-amino-1-(4-bromo-3-methylphenyl)ethyl]amino]pentan-2-ol
CID 113376154
(2S)-2-amino-2-(4-bromo-3-methylphenyl)acetic acid
CID 95731754
5-[1-(4-bromo-3-methylphenyl)ethylamino]-4-methylpentan-2-ol
CID 110010765

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-bromo-3-methylphenyl)-4-methylpentan-1-ol?
The IUPAC name of 2-amino-1-(4-bromo-3-methylphenyl)-4-methylpentan-1-ol (CID 66480993) is 2-amino-1-(4-bromo-3-methylphenyl)-4-methylpentan-1-ol.
What is the SMILES notation for 2-amino-1-(4-bromo-3-methylphenyl)-4-methylpentan-1-ol?
The canonical SMILES for 2-amino-1-(4-bromo-3-methylphenyl)-4-methylpentan-1-ol is Cc1cc(C(O)C(N)CC(C)C)ccc1Br.
What is the InChIKey of 2-amino-1-(4-bromo-3-methylphenyl)-4-methylpentan-1-ol?
The InChIKey is OCAHQHGGGVCXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO/c1-8(2)6-12(15)13(16)10-4-5-11(14)9(3)7-10/h4-5,7-8,12-13,16H,6,15H2,1-3H3.
What are the key properties of 2-amino-1-(4-bromo-3-methylphenyl)-4-methylpentan-1-ol?
2-amino-1-(4-bromo-3-methylphenyl)-4-methylpentan-1-ol has a molecular weight of 286.21 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-bromo-3-methylphenyl)-4-methylpentan-1-ol is sourced from PubChem (CID 66480993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).