N-[(3-bromophenyl)methyl]-N-propylpropan-1-amine

C13H20BrN — CID 60684600

IUPACN-[(3-bromophenyl)methyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)Cc1cccc(Br)c1
InChIInChI=1S/C13H20BrN/c1-3-8-15(9-4-2)11-12-6-5-7-13(14)10-12/h5-7,10H,3-4,8-9,11H2,1-2H3
InChIKeyPGDUYFSWVHWPIN-UHFFFAOYSA-N
MW270.21 g/mol
LogP4.07
Rot. Bonds6

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

N-[(3-bromophenyl)methyl]-N-propylpropan-1-amine (PubChem CID 60684600) has the molecular formula C13H20BrN and a molecular weight of 270.21 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-N-propylpropan-1-amine
PubChem CID60684600
Molecular FormulaC13H20BrN
Molecular Weight270.21 g/mol
Exact Mass269.08
IUPAC NameN-[(3-bromophenyl)methyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)Cc1cccc(Br)c1
InChIInChI=1S/C13H20BrN/c1-3-8-15(9-4-2)11-12-6-5-7-13(14)10-12/h5-7,10H,3-4,8-9,11H2,1-2H3
InChIKeyPGDUYFSWVHWPIN-UHFFFAOYSA-N
XLogP4.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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N-[2-(3-bromophenyl)ethyl]-N-propylhydroxylamine
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1-bromo-3-ethylbenzene;ethane
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N-(2-bromoethyl)-N-[(3-methoxyphenyl)methyl]propan-1-amine
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Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-N-propylpropan-1-amine?
The IUPAC name of N-[(3-bromophenyl)methyl]-N-propylpropan-1-amine (CID 60684600) is N-[(3-bromophenyl)methyl]-N-propylpropan-1-amine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-N-propylpropan-1-amine?
The canonical SMILES for N-[(3-bromophenyl)methyl]-N-propylpropan-1-amine is CCCN(CCC)Cc1cccc(Br)c1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-N-propylpropan-1-amine?
The InChIKey is PGDUYFSWVHWPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN/c1-3-8-15(9-4-2)11-12-6-5-7-13(14)10-12/h5-7,10H,3-4,8-9,11H2,1-2H3.
What are the key properties of N-[(3-bromophenyl)methyl]-N-propylpropan-1-amine?
N-[(3-bromophenyl)methyl]-N-propylpropan-1-amine has a molecular weight of 270.21 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-N-propylpropan-1-amine is sourced from PubChem (CID 60684600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).