2-[(3-bromophenyl)methyl]-N-ethylhexan-1-amine

C15H24BrN — CID 63523538

IUPAC2-[(3-bromophenyl)methyl]-N-ethylhexan-1-amine
SMILESCCCCC(CNCC)Cc1cccc(Br)c1
InChIInChI=1S/C15H24BrN/c1-3-5-7-14(12-17-4-2)10-13-8-6-9-15(16)11-13/h6,8-9,11,14,17H,3-5,7,10,12H2,1-2H3
InChIKeyPOOZYFHVIRLUHK-UHFFFAOYSA-N
MW298.27 g/mol
LogP4.41
Rot. Bonds8

About 2-[(3-bromophenyl)methyl]-N-ethylhexan-1-amine

2-[(3-bromophenyl)methyl]-N-ethylhexan-1-amine (PubChem CID 63523538) has the molecular formula C15H24BrN and a molecular weight of 298.27 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methyl]-N-ethylhexan-1-amine.

Molecular Properties

Compound Name2-[(3-bromophenyl)methyl]-N-ethylhexan-1-amine
PubChem CID63523538
Molecular FormulaC15H24BrN
Molecular Weight298.27 g/mol
Exact Mass297.11
IUPAC Name2-[(3-bromophenyl)methyl]-N-ethylhexan-1-amine
SMILESCCCCC(CNCC)Cc1cccc(Br)c1
InChIInChI=1S/C15H24BrN/c1-3-5-7-14(12-17-4-2)10-13-8-6-9-15(16)11-13/h6,8-9,11,14,17H,3-5,7,10,12H2,1-2H3
InChIKeyPOOZYFHVIRLUHK-UHFFFAOYSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3-bromophenyl)methyl]-N,4-diethyloctan-1-amine
CID 63522817
3-(3-bromophenyl)-2-[(3-bromophenyl)methyl]-N-ethylpropan-1-amine
CID 63523539
2-[(3-bromophenyl)methyl]-N-propylheptan-1-amine
CID 63521929
2-[(3-bromophenyl)methyl]-N-ethyl-5-methylsulfonylpentan-1-amine
CID 63196166
2-[(3-bromophenyl)methyl]-N-methyloctan-1-amine
CID 63522281
2-[(3-bromophenyl)methyl]-N-ethyl-4-propan-2-yloxybutan-1-amine
CID 62514915
2-[(3-bromophenyl)methyl]-N-ethyl-4-(trifluoromethylsulfanyl)butan-1-amine
CID 116617658
2-[(3-bromophenyl)methyl]heptan-1-amine
CID 63495988
2-[(3-bromophenyl)methyl]-N-ethyl-3-methylbutan-1-amine
CID 62528161
2-[(3-bromophenyl)methyl]-N-tert-butylpentan-1-amine
CID 63496756
1-(3-bromophenyl)-N-propan-2-ylhexan-2-amine
CID 79412796
2-[(3-bromophenyl)methyl]-N-(2-methoxyethyl)-4-propoxybutan-1-amine
CID 106456966

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methyl]-N-ethylhexan-1-amine?
The IUPAC name of 2-[(3-bromophenyl)methyl]-N-ethylhexan-1-amine (CID 63523538) is 2-[(3-bromophenyl)methyl]-N-ethylhexan-1-amine.
What is the SMILES notation for 2-[(3-bromophenyl)methyl]-N-ethylhexan-1-amine?
The canonical SMILES for 2-[(3-bromophenyl)methyl]-N-ethylhexan-1-amine is CCCCC(CNCC)Cc1cccc(Br)c1.
What is the InChIKey of 2-[(3-bromophenyl)methyl]-N-ethylhexan-1-amine?
The InChIKey is POOZYFHVIRLUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN/c1-3-5-7-14(12-17-4-2)10-13-8-6-9-15(16)11-13/h6,8-9,11,14,17H,3-5,7,10,12H2,1-2H3.
What are the key properties of 2-[(3-bromophenyl)methyl]-N-ethylhexan-1-amine?
2-[(3-bromophenyl)methyl]-N-ethylhexan-1-amine has a molecular weight of 298.27 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methyl]-N-ethylhexan-1-amine is sourced from PubChem (CID 63523538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).