2-[(3-bromophenyl)methyl]-4-methyl-N-propan-2-ylhexan-1-amine

C17H28BrN — CID 63522112

IUPAC2-[(3-bromophenyl)methyl]-4-methyl-N-propan-2-ylhexan-1-amine
SMILESCCC(C)CC(CNC(C)C)Cc1cccc(Br)c1
InChIInChI=1S/C17H28BrN/c1-5-14(4)9-16(12-19-13(2)3)10-15-7-6-8-17(18)11-15/h6-8,11,13-14,16,19H,5,9-10,12H2,1-4H3
InChIKeyCJRADJSGDUGJBY-UHFFFAOYSA-N
MW326.32 g/mol
LogP5.04
Rot. Bonds8

About 2-[(3-bromophenyl)methyl]-4-methyl-N-propan-2-ylhexan-1-amine

2-[(3-bromophenyl)methyl]-4-methyl-N-propan-2-ylhexan-1-amine (PubChem CID 63522112) has the molecular formula C17H28BrN and a molecular weight of 326.32 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methyl]-4-methyl-N-propan-2-ylhexan-1-amine.

Molecular Properties

Compound Name2-[(3-bromophenyl)methyl]-4-methyl-N-propan-2-ylhexan-1-amine
PubChem CID63522112
Molecular FormulaC17H28BrN
Molecular Weight326.32 g/mol
Exact Mass325.14
IUPAC Name2-[(3-bromophenyl)methyl]-4-methyl-N-propan-2-ylhexan-1-amine
SMILESCCC(C)CC(CNC(C)C)Cc1cccc(Br)c1
InChIInChI=1S/C17H28BrN/c1-5-14(4)9-16(12-19-13(2)3)10-15-7-6-8-17(18)11-15/h6-8,11,13-14,16,19H,5,9-10,12H2,1-4H3
InChIKeyCJRADJSGDUGJBY-UHFFFAOYSA-N
XLogP5.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.32
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3-bromophenyl)methyl]-4-methyl-N-propylhexan-1-amine
CID 55195268
2-[(3-fluorophenyl)methyl]-4-methyl-N-propan-2-ylhexan-1-amine
CID 63522096
2-[(3-bromophenyl)methyl]-N-propan-2-yl-3-trimethylsilylpropan-1-amine
CID 106323271
2-[(3-bromophenyl)methyl]-N-propan-2-yl-4-(trifluoromethylsulfanyl)butan-1-amine
CID 116617660
3-(3-bromophenyl)-2-[(3-bromophenyl)methyl]-N-ethylpropan-1-amine
CID 63523539
N-[(3-bromophenyl)methyl]-2-methylbutan-1-amine
CID 61400861
1-bromo-3-[2-(bromomethyl)butyl]benzene
CID 66041649
2-[(3-bromophenyl)methyl]-4-ethylhexan-1-ol
CID 82934582
2-benzyl-N-propan-2-ylbutan-1-amine
CID 62528668
2-[(3-bromophenyl)methyl]-N,4-diethyloctan-1-amine
CID 63522817
1-(3-bromophenyl)-N-ethyl-4-methylpentan-2-amine
CID 60819223
2-[(4-bromophenyl)methyl]-N-ethyl-4-methylhexan-1-amine
CID 63522612

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methyl]-4-methyl-N-propan-2-ylhexan-1-amine?
The IUPAC name of 2-[(3-bromophenyl)methyl]-4-methyl-N-propan-2-ylhexan-1-amine (CID 63522112) is 2-[(3-bromophenyl)methyl]-4-methyl-N-propan-2-ylhexan-1-amine.
What is the SMILES notation for 2-[(3-bromophenyl)methyl]-4-methyl-N-propan-2-ylhexan-1-amine?
The canonical SMILES for 2-[(3-bromophenyl)methyl]-4-methyl-N-propan-2-ylhexan-1-amine is CCC(C)CC(CNC(C)C)Cc1cccc(Br)c1.
What is the InChIKey of 2-[(3-bromophenyl)methyl]-4-methyl-N-propan-2-ylhexan-1-amine?
The InChIKey is CJRADJSGDUGJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28BrN/c1-5-14(4)9-16(12-19-13(2)3)10-15-7-6-8-17(18)11-15/h6-8,11,13-14,16,19H,5,9-10,12H2,1-4H3.
What are the key properties of 2-[(3-bromophenyl)methyl]-4-methyl-N-propan-2-ylhexan-1-amine?
2-[(3-bromophenyl)methyl]-4-methyl-N-propan-2-ylhexan-1-amine has a molecular weight of 326.32 g/mol, XLogP of 5.04, 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]-4-methyl-N-propan-2-ylhexan-1-amine is sourced from PubChem (CID 63522112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).