1-(2-bromo-5-methoxyphenyl)-N,3-dimethylhexan-2-amine

C15H24BrNO — CID 115862124

IUPAC1-(2-bromo-5-methoxyphenyl)-N,3-dimethylhexan-2-amine
SMILESCCCC(C)C(Cc1cc(OC)ccc1Br)NC
InChIInChI=1S/C15H24BrNO/c1-5-6-11(2)15(17-3)10-12-9-13(18-4)7-8-14(12)16/h7-9,11,15,17H,5-6,10H2,1-4H3
InChIKeyPIFADLALLQHBRP-UHFFFAOYSA-N
MW314.27 g/mol
LogP4.02
Rot. Bonds7

About 1-(2-bromo-5-methoxyphenyl)-N,3-dimethylhexan-2-amine

1-(2-bromo-5-methoxyphenyl)-N,3-dimethylhexan-2-amine (PubChem CID 115862124) has the molecular formula C15H24BrNO and a molecular weight of 314.27 g/mol. Its IUPAC name is 1-(2-bromo-5-methoxyphenyl)-N,3-dimethylhexan-2-amine.

Molecular Properties

Compound Name1-(2-bromo-5-methoxyphenyl)-N,3-dimethylhexan-2-amine
PubChem CID115862124
Molecular FormulaC15H24BrNO
Molecular Weight314.27 g/mol
Exact Mass313.10
IUPAC Name1-(2-bromo-5-methoxyphenyl)-N,3-dimethylhexan-2-amine
SMILESCCCC(C)C(Cc1cc(OC)ccc1Br)NC
InChIInChI=1S/C15H24BrNO/c1-5-6-11(2)15(17-3)10-12-9-13(18-4)7-8-14(12)16/h7-9,11,15,17H,5-6,10H2,1-4H3
InChIKeyPIFADLALLQHBRP-UHFFFAOYSA-N
XLogP4.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-5-methoxyphenyl)-3-methylhexan-2-ol
CID 65327514
1-(2-bromo-5-methoxyphenyl)-N,4-dimethylhexan-2-amine
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1-(2-bromo-5-methoxyphenyl)pentan-2-amine
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1-(2-bromo-5-methoxyphenyl)-N-ethylpentan-2-amine
CID 65325458
1-(2-bromo-5-methoxyphenyl)-N-propan-2-ylhexan-2-amine
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3-(2-bromo-5-methoxyphenyl)-1-cyclopropyl-1-methoxy-N-methylpropan-2-amine
CID 116722110
1-(2-bromo-5-methoxyphenyl)-N-ethylpropan-2-amine
CID 65325217
1-bromo-2-(3-chloro-2-methylbutyl)-4-methoxybenzene
CID 65326952
1-(2-bromo-5-methoxyphenyl)-N,3-diethylheptan-2-amine
CID 115862221
1-(2-bromo-5-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 65325611
1-(2-bromo-5-methoxyphenyl)-N-methylpentan-3-amine
CID 65322937
1-(2-bromo-5-methoxyphenyl)-N-ethyl-3-methoxypentan-2-amine
CID 116715608

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methoxyphenyl)-N,3-dimethylhexan-2-amine?
The IUPAC name of 1-(2-bromo-5-methoxyphenyl)-N,3-dimethylhexan-2-amine (CID 115862124) is 1-(2-bromo-5-methoxyphenyl)-N,3-dimethylhexan-2-amine.
What is the SMILES notation for 1-(2-bromo-5-methoxyphenyl)-N,3-dimethylhexan-2-amine?
The canonical SMILES for 1-(2-bromo-5-methoxyphenyl)-N,3-dimethylhexan-2-amine is CCCC(C)C(Cc1cc(OC)ccc1Br)NC.
What is the InChIKey of 1-(2-bromo-5-methoxyphenyl)-N,3-dimethylhexan-2-amine?
The InChIKey is PIFADLALLQHBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO/c1-5-6-11(2)15(17-3)10-12-9-13(18-4)7-8-14(12)16/h7-9,11,15,17H,5-6,10H2,1-4H3.
What are the key properties of 1-(2-bromo-5-methoxyphenyl)-N,3-dimethylhexan-2-amine?
1-(2-bromo-5-methoxyphenyl)-N,3-dimethylhexan-2-amine has a molecular weight of 314.27 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methoxyphenyl)-N,3-dimethylhexan-2-amine is sourced from PubChem (CID 115862124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).