N-[2-(2-bromophenyl)-4-propan-2-yloxybutyl]cyclopropanamine

C16H24BrNO — CID 79448847

IUPACN-[2-(2-bromophenyl)-4-propan-2-yloxybutyl]cyclopropanamine
SMILESCC(C)OCCC(CNC1CC1)c1ccccc1Br
InChIInChI=1S/C16H24BrNO/c1-12(2)19-10-9-13(11-18-14-7-8-14)15-5-3-4-6-16(15)17/h3-6,12-14,18H,7-11H2,1-2H3
InChIKeySVXSFBBUORVITP-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.10
Rot. Bonds8

About N-[2-(2-bromophenyl)-4-propan-2-yloxybutyl]cyclopropanamine

N-[2-(2-bromophenyl)-4-propan-2-yloxybutyl]cyclopropanamine (PubChem CID 79448847) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is N-[2-(2-bromophenyl)-4-propan-2-yloxybutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(2-bromophenyl)-4-propan-2-yloxybutyl]cyclopropanamine
PubChem CID79448847
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC NameN-[2-(2-bromophenyl)-4-propan-2-yloxybutyl]cyclopropanamine
SMILESCC(C)OCCC(CNC1CC1)c1ccccc1Br
InChIInChI=1S/C16H24BrNO/c1-12(2)19-10-9-13(11-18-14-7-8-14)15-5-3-4-6-16(15)17/h3-6,12-14,18H,7-11H2,1-2H3
InChIKeySVXSFBBUORVITP-UHFFFAOYSA-N
XLogP4.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromophenyl)-N-methyl-4-propan-2-yloxybutan-1-amine
CID 79449527
N-[2-(2-bromophenyl)-4-propylsulfonylbutyl]cyclopropanamine
CID 106730256
N-[2-(4-chlorophenyl)-4-propan-2-yloxybutyl]cyclopropanamine
CID 79438020
N-[4-(3-methylbutoxy)-2-(2-methylphenyl)butyl]cyclopropanamine
CID 79424178
N-[2-[(4-bromophenyl)methyl]-4-propan-2-yloxybutyl]cyclopropanamine
CID 62515921
N-[2-(2-chlorophenyl)-4-propoxybutyl]cyclopropanamine
CID 106457197
N-[3-(2-bicyclo[2.2.1]heptanyl)-2-(2-bromophenyl)propyl]cyclopropanamine
CID 79563384
N-[2-(2-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]butyl]cyclopropanamine
CID 115943473
N-[2-(2-bromophenyl)-2-(4-methylcyclohexyl)oxyethyl]cyclopropanamine
CID 63474611
N-[2-(2-fluorophenyl)-4-(3-methoxypropoxy)butyl]cyclopropanamine
CID 103183708
1-(2-bromophenyl)-N'-cyclopentylethane-1,2-diamine
CID 117243579
N-[2-(2-fluorophenyl)-6-methylheptyl]cyclopropanamine
CID 83169179

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromophenyl)-4-propan-2-yloxybutyl]cyclopropanamine?
The IUPAC name of N-[2-(2-bromophenyl)-4-propan-2-yloxybutyl]cyclopropanamine (CID 79448847) is N-[2-(2-bromophenyl)-4-propan-2-yloxybutyl]cyclopropanamine.
What is the SMILES notation for N-[2-(2-bromophenyl)-4-propan-2-yloxybutyl]cyclopropanamine?
The canonical SMILES for N-[2-(2-bromophenyl)-4-propan-2-yloxybutyl]cyclopropanamine is CC(C)OCCC(CNC1CC1)c1ccccc1Br.
What is the InChIKey of N-[2-(2-bromophenyl)-4-propan-2-yloxybutyl]cyclopropanamine?
The InChIKey is SVXSFBBUORVITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-12(2)19-10-9-13(11-18-14-7-8-14)15-5-3-4-6-16(15)17/h3-6,12-14,18H,7-11H2,1-2H3.
What are the key properties of N-[2-(2-bromophenyl)-4-propan-2-yloxybutyl]cyclopropanamine?
N-[2-(2-bromophenyl)-4-propan-2-yloxybutyl]cyclopropanamine has a molecular weight of 326.28 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromophenyl)-4-propan-2-yloxybutyl]cyclopropanamine is sourced from PubChem (CID 79448847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).