N-[[2-(5-bromo-2-methoxyphenyl)cyclopropyl]methyl]propan-1-amine

C14H20BrNO — CID 62708175

IUPACN-[[2-(5-bromo-2-methoxyphenyl)cyclopropyl]methyl]propan-1-amine
SMILESCCCNCC1CC1c1cc(Br)ccc1OC
InChIInChI=1S/C14H20BrNO/c1-3-6-16-9-10-7-12(10)13-8-11(15)4-5-14(13)17-2/h4-5,8,10,12,16H,3,6-7,9H2,1-2H3
InChIKeyPIMYUGCAKRTFMU-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.56
Rot. Bonds6

About N-[[2-(5-bromo-2-methoxyphenyl)cyclopropyl]methyl]propan-1-amine

N-[[2-(5-bromo-2-methoxyphenyl)cyclopropyl]methyl]propan-1-amine (PubChem CID 62708175) 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-1-amine.

Molecular Properties

Compound NameN-[[2-(5-bromo-2-methoxyphenyl)cyclopropyl]methyl]propan-1-amine
PubChem CID62708175
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC NameN-[[2-(5-bromo-2-methoxyphenyl)cyclopropyl]methyl]propan-1-amine
SMILESCCCNCC1CC1c1cc(Br)ccc1OC
InChIInChI=1S/C14H20BrNO/c1-3-6-16-9-10-7-12(10)13-8-11(15)4-5-14(13)17-2/h4-5,8,10,12,16H,3,6-7,9H2,1-2H3
InChIKeyPIMYUGCAKRTFMU-UHFFFAOYSA-N
XLogP3.56
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 ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(5-bromo-2-methoxyphenyl)cyclopropyl]methyl]propan-2-amine
CID 62708919
N-[[2-(2-chloro-3,4-dimethoxyphenyl)cyclopropyl]methyl]propan-1-amine
CID 63631896
N-[[2-[(5-bromo-2-methoxyphenyl)methyl]cyclobutyl]methyl]propan-1-amine
CID 81018146
N-[[2-(5-fluoro-2-methoxyphenyl)-4-methylcyclohexyl]methyl]propan-1-amine
CID 82772303
N-[[2-(5-chloro-2-methoxyphenyl)-4-methylcyclohexyl]methyl]propan-1-amine
CID 81034269
N-[[2-(5-fluoro-2-methoxyphenyl)cyclobutyl]methyl]propan-1-amine
CID 82782284
N-[[2-(2,5-dimethoxyphenyl)cyclopentyl]methyl]propan-1-amine
CID 81033055
N-[[2-(5-bromo-2-methoxyphenyl)oxan-3-yl]methyl]ethanamine
CID 79364998
N-[[2-(2-methoxyphenyl)cyclopropyl]methyl]ethanamine
CID 62704571
2-methoxy-N-[[2-(2-methoxyphenyl)cyclopropyl]methyl]ethanamine
CID 62714428
1-[(1R,2S)-2-(2,5-dimethoxyphenyl)cyclopropyl]-N-methylmethanamine
CID 94558417
N-[[2-(2,4-difluorophenyl)cyclopropyl]methyl]propan-1-amine
CID 62708173

Frequently Asked Questions

What is the IUPAC name of N-[[2-(5-bromo-2-methoxyphenyl)cyclopropyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(5-bromo-2-methoxyphenyl)cyclopropyl]methyl]propan-1-amine (CID 62708175) is N-[[2-(5-bromo-2-methoxyphenyl)cyclopropyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(5-bromo-2-methoxyphenyl)cyclopropyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(5-bromo-2-methoxyphenyl)cyclopropyl]methyl]propan-1-amine is CCCNCC1CC1c1cc(Br)ccc1OC.
What is the InChIKey of N-[[2-(5-bromo-2-methoxyphenyl)cyclopropyl]methyl]propan-1-amine?
The InChIKey is PIMYUGCAKRTFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-3-6-16-9-10-7-12(10)13-8-11(15)4-5-14(13)17-2/h4-5,8,10,12,16H,3,6-7,9H2,1-2H3.
What are the key properties of N-[[2-(5-bromo-2-methoxyphenyl)cyclopropyl]methyl]propan-1-amine?
N-[[2-(5-bromo-2-methoxyphenyl)cyclopropyl]methyl]propan-1-amine has a molecular weight of 298.22 g/mol, XLogP of 3.56, 6 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-1-amine is sourced from PubChem (CID 62708175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).