N-[[2-(3-bromophenyl)-2-methylcyclopropyl]methyl]-2-methoxyethanamine

C14H20BrNO — CID 55135134

IUPACN-[[2-(3-bromophenyl)-2-methylcyclopropyl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1CC1(C)c1cccc(Br)c1
InChIInChI=1S/C14H20BrNO/c1-14(11-4-3-5-13(15)8-11)9-12(14)10-16-6-7-17-2/h3-5,8,12,16H,6-7,9-10H2,1-2H3
InChIKeyCRKSYFLTTWGHIN-UHFFFAOYSA-N
MW298.22 g/mol
LogP2.96
Rot. Bonds6

About N-[[2-(3-bromophenyl)-2-methylcyclopropyl]methyl]-2-methoxyethanamine

N-[[2-(3-bromophenyl)-2-methylcyclopropyl]methyl]-2-methoxyethanamine (PubChem CID 55135134) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is N-[[2-(3-bromophenyl)-2-methylcyclopropyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[2-(3-bromophenyl)-2-methylcyclopropyl]methyl]-2-methoxyethanamine
PubChem CID55135134
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC NameN-[[2-(3-bromophenyl)-2-methylcyclopropyl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1CC1(C)c1cccc(Br)c1
InChIInChI=1S/C14H20BrNO/c1-14(11-4-3-5-13(15)8-11)9-12(14)10-16-6-7-17-2/h3-5,8,12,16H,6-7,9-10H2,1-2H3
InChIKeyCRKSYFLTTWGHIN-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
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-(4-fluorophenyl)-2-methylcyclopropyl]methyl]-2-methoxyethanamine
CID 62714260
N-[[2-methyl-2-(3-methylphenyl)cyclopropyl]methyl]propan-1-amine
CID 62708366
N-[[2-(4-bromophenyl)-2-ethylcyclopropyl]methyl]-2-methoxyethanamine
CID 62713015
2-methoxy-N-[(2-methyl-2-pyridin-2-ylcyclopropyl)methyl]ethanamine
CID 62714074
N-[[1-(3-bromophenoxy)cyclopropyl]methyl]-2-methoxyethanamine
CID 114199468
N-[[1-(3-fluorophenyl)-3-propylcyclobutyl]methyl]-2-methoxyethanamine
CID 65014047
3-(3-bromophenyl)-2-cyclopentyl-N-(2-methoxyethyl)propan-1-amine
CID 82933905
1-[[1-(3-bromophenyl)cyclobutyl]methyl]-3-(2-methoxyethyl)-2-methylguanidine
CID 110942914
N-[[3-ethyl-1-(3-methylphenyl)cyclobutyl]methyl]-2-methoxyethanamine
CID 64998082
N-[[2-[(3-bromophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-methoxyethanamine
CID 63522562
1-(3-bromophenyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine
CID 103802419
2-methoxy-N-(spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,2'-cyclopropane]-1'-ylmethyl)ethanamine
CID 62712841

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-bromophenyl)-2-methylcyclopropyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[2-(3-bromophenyl)-2-methylcyclopropyl]methyl]-2-methoxyethanamine (CID 55135134) is N-[[2-(3-bromophenyl)-2-methylcyclopropyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[2-(3-bromophenyl)-2-methylcyclopropyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[2-(3-bromophenyl)-2-methylcyclopropyl]methyl]-2-methoxyethanamine is COCCNCC1CC1(C)c1cccc(Br)c1.
What is the InChIKey of N-[[2-(3-bromophenyl)-2-methylcyclopropyl]methyl]-2-methoxyethanamine?
The InChIKey is CRKSYFLTTWGHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-14(11-4-3-5-13(15)8-11)9-12(14)10-16-6-7-17-2/h3-5,8,12,16H,6-7,9-10H2,1-2H3.
What are the key properties of N-[[2-(3-bromophenyl)-2-methylcyclopropyl]methyl]-2-methoxyethanamine?
N-[[2-(3-bromophenyl)-2-methylcyclopropyl]methyl]-2-methoxyethanamine has a molecular weight of 298.22 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-bromophenyl)-2-methylcyclopropyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 55135134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).