5-[(4-bromophenyl)methylamino]-4,4-dimethylpentan-1-ol

C14H22BrNO — CID 103897822

IUPAC5-[(4-bromophenyl)methylamino]-4,4-dimethylpentan-1-ol
SMILESCC(C)(CCCO)CNCc1ccc(Br)cc1
InChIInChI=1S/C14H22BrNO/c1-14(2,8-3-9-17)11-16-10-12-4-6-13(15)7-5-12/h4-7,16-17H,3,8-11H2,1-2H3
InChIKeyBSRCSOFJMXWJCH-UHFFFAOYSA-N
MW300.24 g/mol
LogP3.34
Rot. Bonds7

About 5-[(4-bromophenyl)methylamino]-4,4-dimethylpentan-1-ol

5-[(4-bromophenyl)methylamino]-4,4-dimethylpentan-1-ol (PubChem CID 103897822) has the molecular formula C14H22BrNO and a molecular weight of 300.24 g/mol. Its IUPAC name is 5-[(4-bromophenyl)methylamino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name5-[(4-bromophenyl)methylamino]-4,4-dimethylpentan-1-ol
PubChem CID103897822
Molecular FormulaC14H22BrNO
Molecular Weight300.24 g/mol
Exact Mass299.09
IUPAC Name5-[(4-bromophenyl)methylamino]-4,4-dimethylpentan-1-ol
SMILESCC(C)(CCCO)CNCc1ccc(Br)cc1
InChIInChI=1S/C14H22BrNO/c1-14(2,8-3-9-17)11-16-10-12-4-6-13(15)7-5-12/h4-7,16-17H,3,8-11H2,1-2H3
InChIKeyBSRCSOFJMXWJCH-UHFFFAOYSA-N
XLogP3.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-dimethyl-5-[(4-methylphenyl)methylamino]pentan-1-ol
CID 103897567
4,4-dimethyl-5-[(4-propan-2-ylphenyl)methylamino]pentan-1-ol
CID 103897565
5-[(4-bromo-3-methylphenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897720
5-[(4-ethoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897750
4,4-dimethyl-5-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]pentan-1-ol
CID 103897735
5-[(3-fluoro-4-methylphenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897533
5-[(5-bromofuran-2-yl)methylamino]-4,4-dimethylpentan-1-ol
CID 103527615
5-[(3-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897825
1-[(4-bromophenyl)methylamino]-2-methylpentan-2-ol
CID 115623479
2,6-difluoro-4-[[(5-hydroxy-2,2-dimethylpentyl)amino]methyl]phenol
CID 103897773
5-(1H-indol-5-ylmethylamino)-4,4-dimethylpentan-1-ol
CID 106144224
5-[(3-fluoro-4-methoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897619

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromophenyl)methylamino]-4,4-dimethylpentan-1-ol?
The IUPAC name of 5-[(4-bromophenyl)methylamino]-4,4-dimethylpentan-1-ol (CID 103897822) is 5-[(4-bromophenyl)methylamino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 5-[(4-bromophenyl)methylamino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 5-[(4-bromophenyl)methylamino]-4,4-dimethylpentan-1-ol is CC(C)(CCCO)CNCc1ccc(Br)cc1.
What is the InChIKey of 5-[(4-bromophenyl)methylamino]-4,4-dimethylpentan-1-ol?
The InChIKey is BSRCSOFJMXWJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO/c1-14(2,8-3-9-17)11-16-10-12-4-6-13(15)7-5-12/h4-7,16-17H,3,8-11H2,1-2H3.
What are the key properties of 5-[(4-bromophenyl)methylamino]-4,4-dimethylpentan-1-ol?
5-[(4-bromophenyl)methylamino]-4,4-dimethylpentan-1-ol has a molecular weight of 300.24 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromophenyl)methylamino]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 103897822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).