1-(3-bromophenyl)-N-propan-2-ylhexan-2-amine

C15H24BrN — CID 79412796

IUPAC1-(3-bromophenyl)-N-propan-2-ylhexan-2-amine
SMILESCCCCC(Cc1cccc(Br)c1)NC(C)C
InChIInChI=1S/C15H24BrN/c1-4-5-9-15(17-12(2)3)11-13-7-6-8-14(16)10-13/h6-8,10,12,15,17H,4-5,9,11H2,1-3H3
InChIKeyMNBNUWHDJCWHMM-UHFFFAOYSA-N
MW298.27 g/mol
LogP4.55
Rot. Bonds7

About 1-(3-bromophenyl)-N-propan-2-ylhexan-2-amine

1-(3-bromophenyl)-N-propan-2-ylhexan-2-amine (PubChem CID 79412796) has the molecular formula C15H24BrN and a molecular weight of 298.27 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-propan-2-ylhexan-2-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-propan-2-ylhexan-2-amine
PubChem CID79412796
Molecular FormulaC15H24BrN
Molecular Weight298.27 g/mol
Exact Mass297.11
IUPAC Name1-(3-bromophenyl)-N-propan-2-ylhexan-2-amine
SMILESCCCCC(Cc1cccc(Br)c1)NC(C)C
InChIInChI=1S/C15H24BrN/c1-4-5-9-15(17-12(2)3)11-13-7-6-8-14(16)10-13/h6-8,10,12,15,17H,4-5,9,11H2,1-3H3
InChIKeyMNBNUWHDJCWHMM-UHFFFAOYSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromophenyl)heptan-2-ylhydrazine
CID 105202849
1-(3-bromophenyl)-N-ethyloctan-2-amine
CID 63413493
1-(3-bromo-4-methoxyphenyl)-N-propan-2-ylhexan-2-amine
CID 79411886
1-(4-ethylphenyl)-N-propan-2-ylhexan-2-amine
CID 79413154
2-[(3-bromophenyl)methyl]-N-ethylhexan-1-amine
CID 63523538
N-propan-2-yl-1-pyridin-4-ylhexan-2-amine
CID 79411774
1-(3-bromophenyl)-3-ethyl-N-methylheptan-2-amine
CID 63528117
N-[(1R)-1-(3-bromophenyl)ethyl]heptan-3-amine
CID 81382746
[1-(3-bromophenyl)-3-ethylheptan-2-yl]hydrazine
CID 105284555
1-phenyl-N-propan-2-ylheptan-3-amine
CID 13159413
1-(3-bromophenyl)octan-2-ol
CID 63411241
1-(3-bromophenyl)-N-ethyl-4-methylpentan-2-amine
CID 60819223

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-propan-2-ylhexan-2-amine?
The IUPAC name of 1-(3-bromophenyl)-N-propan-2-ylhexan-2-amine (CID 79412796) is 1-(3-bromophenyl)-N-propan-2-ylhexan-2-amine.
What is the SMILES notation for 1-(3-bromophenyl)-N-propan-2-ylhexan-2-amine?
The canonical SMILES for 1-(3-bromophenyl)-N-propan-2-ylhexan-2-amine is CCCCC(Cc1cccc(Br)c1)NC(C)C.
What is the InChIKey of 1-(3-bromophenyl)-N-propan-2-ylhexan-2-amine?
The InChIKey is MNBNUWHDJCWHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN/c1-4-5-9-15(17-12(2)3)11-13-7-6-8-14(16)10-13/h6-8,10,12,15,17H,4-5,9,11H2,1-3H3.
What are the key properties of 1-(3-bromophenyl)-N-propan-2-ylhexan-2-amine?
1-(3-bromophenyl)-N-propan-2-ylhexan-2-amine has a molecular weight of 298.27 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-propan-2-ylhexan-2-amine is sourced from PubChem (CID 79412796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).