N-[(4-bromophenyl)methyl]-N-propan-2-ylpropan-2-amine

C13H20BrN — CID 598770

IUPACN-[(4-bromophenyl)methyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(Cc1ccc(Br)cc1)C(C)C
InChIInChI=1S/C13H20BrN/c1-10(2)15(11(3)4)9-12-5-7-13(14)8-6-12/h5-8,10-11H,9H2,1-4H3
InChIKeySNGBVBNOXIPZGP-UHFFFAOYSA-N
MW270.21 g/mol
LogP4.07
Rot. Bonds4

About N-[(4-bromophenyl)methyl]-N-propan-2-ylpropan-2-amine

N-[(4-bromophenyl)methyl]-N-propan-2-ylpropan-2-amine (PubChem CID 598770) has the molecular formula C13H20BrN and a molecular weight of 270.21 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-N-propan-2-ylpropan-2-amine
PubChem CID598770
Molecular FormulaC13H20BrN
Molecular Weight270.21 g/mol
Exact Mass269.08
IUPAC NameN-[(4-bromophenyl)methyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(Cc1ccc(Br)cc1)C(C)C
InChIInChI=1S/C13H20BrN/c1-10(2)15(11(3)4)9-12-5-7-13(14)8-6-12/h5-8,10-11H,9H2,1-4H3
InChIKeySNGBVBNOXIPZGP-UHFFFAOYSA-N
XLogP4.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[(4-bromophenyl)methyl]-N-propan-2-ylpropan-2-amine (CID 598770) is N-[(4-bromophenyl)methyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[(4-bromophenyl)methyl]-N-propan-2-ylpropan-2-amine is CC(C)N(Cc1ccc(Br)cc1)C(C)C.
What is the InChIKey of N-[(4-bromophenyl)methyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is SNGBVBNOXIPZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN/c1-10(2)15(11(3)4)9-12-5-7-13(14)8-6-12/h5-8,10-11H,9H2,1-4H3.
What are the key properties of N-[(4-bromophenyl)methyl]-N-propan-2-ylpropan-2-amine?
N-[(4-bromophenyl)methyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 270.21 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 598770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).