N-[(4-bromophenyl)methyl]-N-(2-methylpropyl)cyclopropanamine

C14H20BrN — CID 60733586

IUPACN-[(4-bromophenyl)methyl]-N-(2-methylpropyl)cyclopropanamine
SMILESCC(C)CN(Cc1ccc(Br)cc1)C1CC1
InChIInChI=1S/C14H20BrN/c1-11(2)9-16(14-7-8-14)10-12-3-5-13(15)6-4-12/h3-6,11,14H,7-10H2,1-2H3
InChIKeyXIXXSHXBMRRLNM-UHFFFAOYSA-N
MW282.22 g/mol
LogP4.07
Rot. Bonds5

About N-[(4-bromophenyl)methyl]-N-(2-methylpropyl)cyclopropanamine

N-[(4-bromophenyl)methyl]-N-(2-methylpropyl)cyclopropanamine (PubChem CID 60733586) has the molecular formula C14H20BrN and a molecular weight of 282.22 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-N-(2-methylpropyl)cyclopropanamine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-N-(2-methylpropyl)cyclopropanamine
PubChem CID60733586
Molecular FormulaC14H20BrN
Molecular Weight282.22 g/mol
Exact Mass281.08
IUPAC NameN-[(4-bromophenyl)methyl]-N-(2-methylpropyl)cyclopropanamine
SMILESCC(C)CN(Cc1ccc(Br)cc1)C1CC1
InChIInChI=1S/C14H20BrN/c1-11(2)9-16(14-7-8-14)10-12-3-5-13(15)6-4-12/h3-6,11,14H,7-10H2,1-2H3
InChIKeyXIXXSHXBMRRLNM-UHFFFAOYSA-N
XLogP4.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
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-(2-methylpropyl)cyclopropanamine?
The IUPAC name of N-[(4-bromophenyl)methyl]-N-(2-methylpropyl)cyclopropanamine (CID 60733586) is N-[(4-bromophenyl)methyl]-N-(2-methylpropyl)cyclopropanamine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-N-(2-methylpropyl)cyclopropanamine?
The canonical SMILES for N-[(4-bromophenyl)methyl]-N-(2-methylpropyl)cyclopropanamine is CC(C)CN(Cc1ccc(Br)cc1)C1CC1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-N-(2-methylpropyl)cyclopropanamine?
The InChIKey is XIXXSHXBMRRLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN/c1-11(2)9-16(14-7-8-14)10-12-3-5-13(15)6-4-12/h3-6,11,14H,7-10H2,1-2H3.
What are the key properties of N-[(4-bromophenyl)methyl]-N-(2-methylpropyl)cyclopropanamine?
N-[(4-bromophenyl)methyl]-N-(2-methylpropyl)cyclopropanamine has a molecular weight of 282.22 g/mol, XLogP of 4.07, 5 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-(2-methylpropyl)cyclopropanamine is sourced from PubChem (CID 60733586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).