1-(4-bromophenyl)-1-(2-methylpentoxy)propan-2-amine

C15H24BrNO — CID 103283082

IUPAC1-(4-bromophenyl)-1-(2-methylpentoxy)propan-2-amine
SMILESCCCC(C)COC(c1ccc(Br)cc1)C(C)N
InChIInChI=1S/C15H24BrNO/c1-4-5-11(2)10-18-15(12(3)17)13-6-8-14(16)9-7-13/h6-9,11-12,15H,4-5,10,17H2,1-3H3
InChIKeyDKQBDGOUWPMUQS-UHFFFAOYSA-N
MW314.27 g/mol
LogP4.29
Rot. Bonds7

About 1-(4-bromophenyl)-1-(2-methylpentoxy)propan-2-amine

1-(4-bromophenyl)-1-(2-methylpentoxy)propan-2-amine (PubChem CID 103283082) has the molecular formula C15H24BrNO and a molecular weight of 314.27 g/mol. Its IUPAC name is 1-(4-bromophenyl)-1-(2-methylpentoxy)propan-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-1-(2-methylpentoxy)propan-2-amine
PubChem CID103283082
Molecular FormulaC15H24BrNO
Molecular Weight314.27 g/mol
Exact Mass313.10
IUPAC Name1-(4-bromophenyl)-1-(2-methylpentoxy)propan-2-amine
SMILESCCCC(C)COC(c1ccc(Br)cc1)C(C)N
InChIInChI=1S/C15H24BrNO/c1-4-5-11(2)10-18-15(12(3)17)13-6-8-14(16)9-7-13/h6-9,11-12,15H,4-5,10,17H2,1-3H3
InChIKeyDKQBDGOUWPMUQS-UHFFFAOYSA-N
XLogP4.29
TPSA35.25 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 ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-1-heptoxypropan-2-amine
CID 63460089
1-(4-bromophenyl)-1-(2-methylpropoxy)butan-2-amine
CID 55015797
N-[2-(4-bromophenyl)-2-(2-methylpentoxy)ethyl]propan-1-amine
CID 103285218
1-(2-chlorophenyl)-1-(2-methylpentoxy)propan-2-amine
CID 103283025
1-(4-bromophenyl)-1-(2-ethylhexoxy)butan-2-amine
CID 63460276
1-(4-bromophenyl)-1-(cyclohexylmethoxy)propan-2-amine
CID 62382192
1-[(4-bromophenyl)methoxy]-1-pyridin-4-ylpropan-2-amine
CID 82828548
1-(4-bromophenyl)-1-[(3-bromophenyl)methoxy]propan-2-amine
CID 82828472
1-(4-bromophenyl)-1-N-methyl-1-N-pentan-2-ylpropane-1,2-diamine
CID 55015882
1-bromo-4-[(1R)-1-ethoxy-2-methylpropyl]benzene
CID 124500582
(1R)-1-(4-bromophenyl)-2-methylbutan-1-amine
CID 131011695
1-bromo-4-(1-pentan-2-yloxyethyl)benzene
CID 123476131

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-1-(2-methylpentoxy)propan-2-amine?
The IUPAC name of 1-(4-bromophenyl)-1-(2-methylpentoxy)propan-2-amine (CID 103283082) is 1-(4-bromophenyl)-1-(2-methylpentoxy)propan-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)-1-(2-methylpentoxy)propan-2-amine?
The canonical SMILES for 1-(4-bromophenyl)-1-(2-methylpentoxy)propan-2-amine is CCCC(C)COC(c1ccc(Br)cc1)C(C)N.
What is the InChIKey of 1-(4-bromophenyl)-1-(2-methylpentoxy)propan-2-amine?
The InChIKey is DKQBDGOUWPMUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO/c1-4-5-11(2)10-18-15(12(3)17)13-6-8-14(16)9-7-13/h6-9,11-12,15H,4-5,10,17H2,1-3H3.
What are the key properties of 1-(4-bromophenyl)-1-(2-methylpentoxy)propan-2-amine?
1-(4-bromophenyl)-1-(2-methylpentoxy)propan-2-amine has a molecular weight of 314.27 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-1-(2-methylpentoxy)propan-2-amine is sourced from PubChem (CID 103283082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).