1-[(4-bromophenyl)methylamino]-2-methylpentan-2-ol

C13H20BrNO — CID 115623479

IUPAC1-[(4-bromophenyl)methylamino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNCc1ccc(Br)cc1
InChIInChI=1S/C13H20BrNO/c1-3-8-13(2,16)10-15-9-11-4-6-12(14)7-5-11/h4-7,15-16H,3,8-10H2,1-2H3
InChIKeySRWRKUGUHHXGDB-UHFFFAOYSA-N
MW286.21 g/mol
LogP3.09
Rot. Bonds6

About 1-[(4-bromophenyl)methylamino]-2-methylpentan-2-ol

1-[(4-bromophenyl)methylamino]-2-methylpentan-2-ol (PubChem CID 115623479) has the molecular formula C13H20BrNO and a molecular weight of 286.21 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methylamino]-2-methylpentan-2-ol.

Molecular Properties

Compound Name1-[(4-bromophenyl)methylamino]-2-methylpentan-2-ol
PubChem CID115623479
Molecular FormulaC13H20BrNO
Molecular Weight286.21 g/mol
Exact Mass285.07
IUPAC Name1-[(4-bromophenyl)methylamino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNCc1ccc(Br)cc1
InChIInChI=1S/C13H20BrNO/c1-3-8-13(2,16)10-15-9-11-4-6-12(14)7-5-11/h4-7,15-16H,3,8-10H2,1-2H3
InChIKeySRWRKUGUHHXGDB-UHFFFAOYSA-N
XLogP3.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-bromo-4-methylphenyl)methylamino]-2-methylpentan-2-ol
CID 113344535
1-[(4-bromo-3-fluorophenyl)methylamino]-2-methylpentan-2-ol
CID 103773692
1-[(4-bromophenyl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 103838978
2-[4-[[(2-hydroxy-2-methylpentyl)amino]methyl]phenyl]propanoic acid
CID 106294598
5-[(4-bromophenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897822
2-[[(2-hydroxy-2-methylpentyl)amino]methyl]phenol
CID 115623477
1-[(3-fluoro-4-nitrophenyl)methylamino]-2-methylpentan-2-ol
CID 106293013
2,6-difluoro-4-[[(2-hydroxy-2-methylpentyl)amino]methyl]phenol
CID 113251429
1-[[3-(methoxymethyl)phenyl]methylamino]-2-methylpentan-2-ol
CID 103699421
1-[(4-iodophenyl)methylamino]-2-methylbutan-2-ol
CID 65478827
2-[(4-bromophenyl)methylamino]-2-methylpentanoic acid
CID 43619765
3-[(4-bromophenyl)methylamino]-2,2-difluoropropan-1-ol
CID 104857699

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methylamino]-2-methylpentan-2-ol?
The IUPAC name of 1-[(4-bromophenyl)methylamino]-2-methylpentan-2-ol (CID 115623479) is 1-[(4-bromophenyl)methylamino]-2-methylpentan-2-ol.
What is the SMILES notation for 1-[(4-bromophenyl)methylamino]-2-methylpentan-2-ol?
The canonical SMILES for 1-[(4-bromophenyl)methylamino]-2-methylpentan-2-ol is CCCC(C)(O)CNCc1ccc(Br)cc1.
What is the InChIKey of 1-[(4-bromophenyl)methylamino]-2-methylpentan-2-ol?
The InChIKey is SRWRKUGUHHXGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO/c1-3-8-13(2,16)10-15-9-11-4-6-12(14)7-5-11/h4-7,15-16H,3,8-10H2,1-2H3.
What are the key properties of 1-[(4-bromophenyl)methylamino]-2-methylpentan-2-ol?
1-[(4-bromophenyl)methylamino]-2-methylpentan-2-ol has a molecular weight of 286.21 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methylamino]-2-methylpentan-2-ol is sourced from PubChem (CID 115623479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).