5-[(4-bromo-3-methylphenyl)methylamino]-4,4-dimethylpentan-1-ol

C15H24BrNO — CID 103897720

IUPAC5-[(4-bromo-3-methylphenyl)methylamino]-4,4-dimethylpentan-1-ol
SMILESCc1cc(CNCC(C)(C)CCCO)ccc1Br
InChIInChI=1S/C15H24BrNO/c1-12-9-13(5-6-14(12)16)10-17-11-15(2,3)7-4-8-18/h5-6,9,17-18H,4,7-8,10-11H2,1-3H3
InChIKeyTWSKGYKSVPNLBE-UHFFFAOYSA-N
MW314.27 g/mol
LogP3.65
Rot. Bonds7

About 5-[(4-bromo-3-methylphenyl)methylamino]-4,4-dimethylpentan-1-ol

5-[(4-bromo-3-methylphenyl)methylamino]-4,4-dimethylpentan-1-ol (PubChem CID 103897720) has the molecular formula C15H24BrNO and a molecular weight of 314.27 g/mol. Its IUPAC name is 5-[(4-bromo-3-methylphenyl)methylamino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name5-[(4-bromo-3-methylphenyl)methylamino]-4,4-dimethylpentan-1-ol
PubChem CID103897720
Molecular FormulaC15H24BrNO
Molecular Weight314.27 g/mol
Exact Mass313.10
IUPAC Name5-[(4-bromo-3-methylphenyl)methylamino]-4,4-dimethylpentan-1-ol
SMILESCc1cc(CNCC(C)(C)CCCO)ccc1Br
InChIInChI=1S/C15H24BrNO/c1-12-9-13(5-6-14(12)16)10-17-11-15(2,3)7-4-8-18/h5-6,9,17-18H,4,7-8,10-11H2,1-3H3
InChIKeyTWSKGYKSVPNLBE-UHFFFAOYSA-N
XLogP3.65
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(4-bromophenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897822
5-[(3-fluoro-4-methylphenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897533
4,4-dimethyl-5-[(4-methylphenyl)methylamino]pentan-1-ol
CID 103897567
N-[(4-bromo-3-methylphenyl)methyl]-2,2,2-trifluoroethanamine
CID 66472165
5-[(3-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897825
4,4-dimethyl-5-[(4-propan-2-ylphenyl)methylamino]pentan-1-ol
CID 103897565
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
5-[(3-methoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897679
5-[(4-ethoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897750
2,6-difluoro-4-[[(5-hydroxy-2,2-dimethylpentyl)amino]methyl]phenol
CID 103897773
4,4-dimethyl-5-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]pentan-1-ol
CID 103897735

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromo-3-methylphenyl)methylamino]-4,4-dimethylpentan-1-ol?
The IUPAC name of 5-[(4-bromo-3-methylphenyl)methylamino]-4,4-dimethylpentan-1-ol (CID 103897720) is 5-[(4-bromo-3-methylphenyl)methylamino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 5-[(4-bromo-3-methylphenyl)methylamino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 5-[(4-bromo-3-methylphenyl)methylamino]-4,4-dimethylpentan-1-ol is Cc1cc(CNCC(C)(C)CCCO)ccc1Br.
What is the InChIKey of 5-[(4-bromo-3-methylphenyl)methylamino]-4,4-dimethylpentan-1-ol?
The InChIKey is TWSKGYKSVPNLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO/c1-12-9-13(5-6-14(12)16)10-17-11-15(2,3)7-4-8-18/h5-6,9,17-18H,4,7-8,10-11H2,1-3H3.
What are the key properties of 5-[(4-bromo-3-methylphenyl)methylamino]-4,4-dimethylpentan-1-ol?
5-[(4-bromo-3-methylphenyl)methylamino]-4,4-dimethylpentan-1-ol has a molecular weight of 314.27 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromo-3-methylphenyl)methylamino]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 103897720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).