N-[[2-(5-bromo-2-methoxyphenyl)cyclopropyl]methyl]propan-2-amine

C14H20BrNO — CID 62708919

IUPACN-[[2-(5-bromo-2-methoxyphenyl)cyclopropyl]methyl]propan-2-amine
SMILESCOc1ccc(Br)cc1C1CC1CNC(C)C
InChIInChI=1S/C14H20BrNO/c1-9(2)16-8-10-6-12(10)13-7-11(15)4-5-14(13)17-3/h4-5,7,9-10,12,16H,6,8H2,1-3H3
InChIKeyKPUNKNIPBFLIRL-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.56
Rot. Bonds5

About N-[[2-(5-bromo-2-methoxyphenyl)cyclopropyl]methyl]propan-2-amine

N-[[2-(5-bromo-2-methoxyphenyl)cyclopropyl]methyl]propan-2-amine (PubChem CID 62708919) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is N-[[2-(5-bromo-2-methoxyphenyl)cyclopropyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(5-bromo-2-methoxyphenyl)cyclopropyl]methyl]propan-2-amine
PubChem CID62708919
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC NameN-[[2-(5-bromo-2-methoxyphenyl)cyclopropyl]methyl]propan-2-amine
SMILESCOc1ccc(Br)cc1C1CC1CNC(C)C
InChIInChI=1S/C14H20BrNO/c1-9(2)16-8-10-6-12(10)13-7-11(15)4-5-14(13)17-3/h4-5,7,9-10,12,16H,6,8H2,1-3H3
InChIKeyKPUNKNIPBFLIRL-UHFFFAOYSA-N
XLogP3.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(5-bromo-2-methoxyphenyl)cyclopropyl]methyl]propan-1-amine
CID 62708175
1-[(1R,2S)-2-(2,5-dimethoxyphenyl)cyclopropyl]-N-methylmethanamine
CID 94558417
4-(5-bromo-2-methoxyphenyl)-3-(2-methylpropyl)piperidine
CID 79321574
2-(5-bromo-2-methoxyphenyl)-1,3-dioxane
CID 14378759
N-[[2-(2,4-difluorophenyl)cyclopropyl]methyl]propan-2-amine
CID 62708395
N-[[2-(2,5-difluorophenyl)cyclopropyl]methyl]propan-2-amine
CID 62708759
trans-(1R,2R)-2-(5-bromo-2-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 93299464
1-[2-(5-bromo-2-methoxyphenyl)cyclopropyl]ethanone
CID 43141135
1-[2-(5-bromo-2-methoxyphenyl)oxolan-3-yl]-N-methylmethanamine
CID 79367671
N-[[2-[2-(difluoromethoxy)phenyl]cyclopropyl]methyl]propan-2-amine
CID 55209398
N-[[2-(5-bromo-2-methoxyphenyl)oxan-3-yl]methyl]ethanamine
CID 79364998
N-[[2-(5-bromo-2-fluorophenyl)oxolan-3-yl]methyl]propan-2-amine
CID 79368537

Frequently Asked Questions

What is the IUPAC name of N-[[2-(5-bromo-2-methoxyphenyl)cyclopropyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(5-bromo-2-methoxyphenyl)cyclopropyl]methyl]propan-2-amine (CID 62708919) is N-[[2-(5-bromo-2-methoxyphenyl)cyclopropyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(5-bromo-2-methoxyphenyl)cyclopropyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(5-bromo-2-methoxyphenyl)cyclopropyl]methyl]propan-2-amine is COc1ccc(Br)cc1C1CC1CNC(C)C.
What is the InChIKey of N-[[2-(5-bromo-2-methoxyphenyl)cyclopropyl]methyl]propan-2-amine?
The InChIKey is KPUNKNIPBFLIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-9(2)16-8-10-6-12(10)13-7-11(15)4-5-14(13)17-3/h4-5,7,9-10,12,16H,6,8H2,1-3H3.
What are the key properties of N-[[2-(5-bromo-2-methoxyphenyl)cyclopropyl]methyl]propan-2-amine?
N-[[2-(5-bromo-2-methoxyphenyl)cyclopropyl]methyl]propan-2-amine has a molecular weight of 298.22 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(5-bromo-2-methoxyphenyl)cyclopropyl]methyl]propan-2-amine is sourced from PubChem (CID 62708919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).