3-[(3-bromophenyl)methyl]pentan-3-amine

C12H18BrN — CID 60799234

IUPAC3-[(3-bromophenyl)methyl]pentan-3-amine
SMILESCCC(N)(CC)Cc1cccc(Br)c1
InChIInChI=1S/C12H18BrN/c1-3-12(14,4-2)9-10-6-5-7-11(13)8-10/h5-8H,3-4,9,14H2,1-2H3
InChIKeyRGHZOPFXTVLXNL-UHFFFAOYSA-N
MW256.19 g/mol
LogP3.51
Rot. Bonds4

About 3-[(3-bromophenyl)methyl]pentan-3-amine

3-[(3-bromophenyl)methyl]pentan-3-amine (PubChem CID 60799234) has the molecular formula C12H18BrN and a molecular weight of 256.19 g/mol. Its IUPAC name is 3-[(3-bromophenyl)methyl]pentan-3-amine.

Molecular Properties

Compound Name3-[(3-bromophenyl)methyl]pentan-3-amine
PubChem CID60799234
Molecular FormulaC12H18BrN
Molecular Weight256.19 g/mol
Exact Mass255.06
IUPAC Name3-[(3-bromophenyl)methyl]pentan-3-amine
SMILESCCC(N)(CC)Cc1cccc(Br)c1
InChIInChI=1S/C12H18BrN/c1-3-12(14,4-2)9-10-6-5-7-11(13)8-10/h5-8H,3-4,9,14H2,1-2H3
InChIKeyRGHZOPFXTVLXNL-UHFFFAOYSA-N
XLogP3.51
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.19
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(3-bromophenyl)methyl]pentan-3-ol
CID 60799504
1-bromo-3-[2-(chloromethyl)-2-methylbutyl]benzene
CID 66036761
1-bromo-3-ethylbenzene;ethane
CID 143778556
1-bromo-3-ethylbenzene;methane
CID 158533972
1-bromo-3-(propylsulfanylmethyl)benzene
CID 60645412
2-[(3-bromophenyl)methyl]-2-methyl-N-propylbutan-1-amine
CID 55195865
1-bromo-3-(ethylsulfanylmethyl)benzene
CID 60643993
2-[(3-bromophenyl)methyl]-2-fluoropropane-1,3-diol
CID 122239688
(2R)-2-[(3-bromophenyl)methylamino]-2-methylbutanamide
CID 97341035
1-(3-bromophenyl)-2-(3-methoxyphenyl)propan-2-amine
CID 60797838
(3-bromophenyl)methanamine;hydroiodide
CID 175169219
1-bromo-3-(4-bromo-2,2-dimethylpentyl)benzene
CID 64718331

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromophenyl)methyl]pentan-3-amine?
The IUPAC name of 3-[(3-bromophenyl)methyl]pentan-3-amine (CID 60799234) is 3-[(3-bromophenyl)methyl]pentan-3-amine.
What is the SMILES notation for 3-[(3-bromophenyl)methyl]pentan-3-amine?
The canonical SMILES for 3-[(3-bromophenyl)methyl]pentan-3-amine is CCC(N)(CC)Cc1cccc(Br)c1.
What is the InChIKey of 3-[(3-bromophenyl)methyl]pentan-3-amine?
The InChIKey is RGHZOPFXTVLXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN/c1-3-12(14,4-2)9-10-6-5-7-11(13)8-10/h5-8H,3-4,9,14H2,1-2H3.
What are the key properties of 3-[(3-bromophenyl)methyl]pentan-3-amine?
3-[(3-bromophenyl)methyl]pentan-3-amine has a molecular weight of 256.19 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromophenyl)methyl]pentan-3-amine is sourced from PubChem (CID 60799234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).