N-[[2-(4-bromophenyl)-2-ethylcyclopropyl]methyl]-2-methoxyethanamine

C15H22BrNO — CID 62713015

IUPACN-[[2-(4-bromophenyl)-2-ethylcyclopropyl]methyl]-2-methoxyethanamine
SMILESCCC1(c2ccc(Br)cc2)CC1CNCCOC
InChIInChI=1S/C15H22BrNO/c1-3-15(12-4-6-14(16)7-5-12)10-13(15)11-17-8-9-18-2/h4-7,13,17H,3,8-11H2,1-2H3
InChIKeyHERCRDOVJNUIGH-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.35
Rot. Bonds7

About N-[[2-(4-bromophenyl)-2-ethylcyclopropyl]methyl]-2-methoxyethanamine

N-[[2-(4-bromophenyl)-2-ethylcyclopropyl]methyl]-2-methoxyethanamine (PubChem CID 62713015) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is N-[[2-(4-bromophenyl)-2-ethylcyclopropyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[2-(4-bromophenyl)-2-ethylcyclopropyl]methyl]-2-methoxyethanamine
PubChem CID62713015
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC NameN-[[2-(4-bromophenyl)-2-ethylcyclopropyl]methyl]-2-methoxyethanamine
SMILESCCC1(c2ccc(Br)cc2)CC1CNCCOC
InChIInChI=1S/C15H22BrNO/c1-3-15(12-4-6-14(16)7-5-12)10-13(15)11-17-8-9-18-2/h4-7,13,17H,3,8-11H2,1-2H3
InChIKeyHERCRDOVJNUIGH-UHFFFAOYSA-N
XLogP3.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.35
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-ethyl-2-(4-methylphenyl)cyclopropyl]methyl]propan-1-amine
CID 55134746
N-[[2-(3-bromophenyl)-2-methylcyclopropyl]methyl]-2-methoxyethanamine
CID 55135134
N-[(2-ethyl-2-phenylcyclopropyl)methyl]propan-1-amine
CID 62708377
N-[[2-(4-fluorophenyl)-2-methylcyclopropyl]methyl]-2-methoxyethanamine
CID 62714260
N-[[1-(4-bromophenyl)-3-tert-butylcyclobutyl]methyl]-2-methoxyethanamine
CID 65014971
N-[[1-(4-bromophenyl)cyclopropyl]methyl]-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride
CID 119801130
2-methoxy-N-[(2-methyl-2-pyridin-2-ylcyclopropyl)methyl]ethanamine
CID 62714074
N-[[2-(4-bromophenyl)oxolan-3-yl]methyl]-2-methoxyethanamine
CID 79365254
N-[[1-[(4-bromophenyl)methyl]piperidin-3-yl]methyl]-2-methoxyethanamine
CID 62591485
2-methoxy-N-(spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,2'-cyclopropane]-1'-ylmethyl)ethanamine
CID 62712841
2-methoxy-N-[(6-methoxyspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl)methyl]ethanamine
CID 79248469
N-[(4-bromophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide
CID 78908417

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-bromophenyl)-2-ethylcyclopropyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[2-(4-bromophenyl)-2-ethylcyclopropyl]methyl]-2-methoxyethanamine (CID 62713015) is N-[[2-(4-bromophenyl)-2-ethylcyclopropyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[2-(4-bromophenyl)-2-ethylcyclopropyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[2-(4-bromophenyl)-2-ethylcyclopropyl]methyl]-2-methoxyethanamine is CCC1(c2ccc(Br)cc2)CC1CNCCOC.
What is the InChIKey of N-[[2-(4-bromophenyl)-2-ethylcyclopropyl]methyl]-2-methoxyethanamine?
The InChIKey is HERCRDOVJNUIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-3-15(12-4-6-14(16)7-5-12)10-13(15)11-17-8-9-18-2/h4-7,13,17H,3,8-11H2,1-2H3.
What are the key properties of N-[[2-(4-bromophenyl)-2-ethylcyclopropyl]methyl]-2-methoxyethanamine?
N-[[2-(4-bromophenyl)-2-ethylcyclopropyl]methyl]-2-methoxyethanamine has a molecular weight of 312.25 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-bromophenyl)-2-ethylcyclopropyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 62713015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).