N-[3-(2-bromophenoxy)-2,2-dimethylpropyl]cyclopropanamine

C14H20BrNO — CID 79627719

IUPACN-[3-(2-bromophenoxy)-2,2-dimethylpropyl]cyclopropanamine
SMILESCC(C)(CNC1CC1)COc1ccccc1Br
InChIInChI=1S/C14H20BrNO/c1-14(2,9-16-11-7-8-11)10-17-13-6-4-3-5-12(13)15/h3-6,11,16H,7-10H2,1-2H3
InChIKeyFPEYLDVYRQNKRC-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.61
Rot. Bonds6

About N-[3-(2-bromophenoxy)-2,2-dimethylpropyl]cyclopropanamine

N-[3-(2-bromophenoxy)-2,2-dimethylpropyl]cyclopropanamine (PubChem CID 79627719) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is N-[3-(2-bromophenoxy)-2,2-dimethylpropyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(2-bromophenoxy)-2,2-dimethylpropyl]cyclopropanamine
PubChem CID79627719
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC NameN-[3-(2-bromophenoxy)-2,2-dimethylpropyl]cyclopropanamine
SMILESCC(C)(CNC1CC1)COc1ccccc1Br
InChIInChI=1S/C14H20BrNO/c1-14(2,9-16-11-7-8-11)10-17-13-6-4-3-5-12(13)15/h3-6,11,16H,7-10H2,1-2H3
InChIKeyFPEYLDVYRQNKRC-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2,2-dimethyl-3-(2-propoxyphenoxy)propyl]cyclopropanamine
CID 79628062
3-(2-bromophenoxy)-2,2-dimethylpropan-1-amine
CID 79018649
N-[3-(4-bromo-3-fluorophenoxy)-2,2-dimethylpropyl]cyclopropanamine
CID 79626291
1-(2-chlorophenoxy)-3-(cyclopropylamino)-2-methylpropan-2-ol
CID 66336227
N-[2,2-dimethyl-3-(4-phenylmethoxyphenoxy)propyl]cyclopropanamine
CID 113249331
N-[3-(4-ethoxyphenoxy)-2,2-dimethylpropyl]cyclopropanamine
CID 79627900
N-[2-(2-bromophenoxy)ethyl]-4-methylcyclohexan-1-amine
CID 55093327
N-[2-[(2-bromophenoxy)methyl]prop-2-enyl]cyclopropanamine
CID 103066410
N-(2,2-dimethyl-3-pyridin-3-yloxypropyl)cyclopropanamine
CID 79628763
CID 67791687
CID 67791687
N-[3-(3-ethylphenoxy)-2,2-dimethylpropyl]cyclopropanamine
CID 79628392
1-(cyclopropylamino)-3-(2-ethylphenoxy)-2-methylpropan-2-ol
CID 66336099

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-bromophenoxy)-2,2-dimethylpropyl]cyclopropanamine?
The IUPAC name of N-[3-(2-bromophenoxy)-2,2-dimethylpropyl]cyclopropanamine (CID 79627719) is N-[3-(2-bromophenoxy)-2,2-dimethylpropyl]cyclopropanamine.
What is the SMILES notation for N-[3-(2-bromophenoxy)-2,2-dimethylpropyl]cyclopropanamine?
The canonical SMILES for N-[3-(2-bromophenoxy)-2,2-dimethylpropyl]cyclopropanamine is CC(C)(CNC1CC1)COc1ccccc1Br.
What is the InChIKey of N-[3-(2-bromophenoxy)-2,2-dimethylpropyl]cyclopropanamine?
The InChIKey is FPEYLDVYRQNKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-14(2,9-16-11-7-8-11)10-17-13-6-4-3-5-12(13)15/h3-6,11,16H,7-10H2,1-2H3.
What are the key properties of N-[3-(2-bromophenoxy)-2,2-dimethylpropyl]cyclopropanamine?
N-[3-(2-bromophenoxy)-2,2-dimethylpropyl]cyclopropanamine has a molecular weight of 298.22 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-bromophenoxy)-2,2-dimethylpropyl]cyclopropanamine is sourced from PubChem (CID 79627719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).