N-[(3-bromophenyl)methyl]-1-cyclopropyl-N-(2-methoxyethyl)ethanamine

C15H22BrNO — CID 54942465

IUPACN-[(3-bromophenyl)methyl]-1-cyclopropyl-N-(2-methoxyethyl)ethanamine
SMILESCOCCN(Cc1cccc(Br)c1)C(C)C1CC1
InChIInChI=1S/C15H22BrNO/c1-12(14-6-7-14)17(8-9-18-2)11-13-4-3-5-15(16)10-13/h3-5,10,12,14H,6-9,11H2,1-2H3
InChIKeyWPAXALXUPREIPO-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.70
Rot. Bonds7

About N-[(3-bromophenyl)methyl]-1-cyclopropyl-N-(2-methoxyethyl)ethanamine

N-[(3-bromophenyl)methyl]-1-cyclopropyl-N-(2-methoxyethyl)ethanamine (PubChem CID 54942465) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-1-cyclopropyl-N-(2-methoxyethyl)ethanamine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-1-cyclopropyl-N-(2-methoxyethyl)ethanamine
PubChem CID54942465
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC NameN-[(3-bromophenyl)methyl]-1-cyclopropyl-N-(2-methoxyethyl)ethanamine
SMILESCOCCN(Cc1cccc(Br)c1)C(C)C1CC1
InChIInChI=1S/C15H22BrNO/c1-12(14-6-7-14)17(8-9-18-2)11-13-4-3-5-15(16)10-13/h3-5,10,12,14H,6-9,11H2,1-2H3
InChIKeyWPAXALXUPREIPO-UHFFFAOYSA-N
XLogP3.70
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chloro-3-pyridinyl)methyl]-1-cyclopropyl-N-(2-methoxyethyl)ethanamine
CID 62471478
4-bromo-2-[1-cyclopropylethyl(2-methoxyethyl)amino]benzonitrile
CID 114901661
N-[(3-bromophenyl)methyl]-2-methoxy-N-methylethanesulfonamide
CID 55014212
N-(2-methoxyethyl)-N-[[3-(methylaminomethyl)phenyl]methyl]propan-2-amine
CID 82952722
2-[benzyl(1-cyclopropylethyl)amino]-N-(2-methoxyethylcarbamoyl)acetamide
CID 51249740
4-bromo-2-[1-cyclopropylethyl(2-methoxyethyl)amino]benzenecarbothioamide
CID 114903023
4-bromo-N-(1-cyclopropylethyl)-2-fluoro-N-(2-methoxyethyl)benzamide
CID 60793269
2-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]-N-ethylpyridin-4-amine
CID 79244339
2-(aminomethyl)-3-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)aniline
CID 114879593
N-[[5-(aminomethyl)-4-methylfuran-2-yl]methyl]-1-cyclopropyl-N-(2-methoxyethyl)ethanamine
CID 62462362
5-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]-1,3-thiazol-2-amine
CID 79771276
1-N-[(3-bromophenyl)methyl]-3-methoxy-1-N-methylpropane-1,2-diamine
CID 81102377

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-1-cyclopropyl-N-(2-methoxyethyl)ethanamine?
The IUPAC name of N-[(3-bromophenyl)methyl]-1-cyclopropyl-N-(2-methoxyethyl)ethanamine (CID 54942465) is N-[(3-bromophenyl)methyl]-1-cyclopropyl-N-(2-methoxyethyl)ethanamine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-1-cyclopropyl-N-(2-methoxyethyl)ethanamine?
The canonical SMILES for N-[(3-bromophenyl)methyl]-1-cyclopropyl-N-(2-methoxyethyl)ethanamine is COCCN(Cc1cccc(Br)c1)C(C)C1CC1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-1-cyclopropyl-N-(2-methoxyethyl)ethanamine?
The InChIKey is WPAXALXUPREIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-12(14-6-7-14)17(8-9-18-2)11-13-4-3-5-15(16)10-13/h3-5,10,12,14H,6-9,11H2,1-2H3.
What are the key properties of N-[(3-bromophenyl)methyl]-1-cyclopropyl-N-(2-methoxyethyl)ethanamine?
N-[(3-bromophenyl)methyl]-1-cyclopropyl-N-(2-methoxyethyl)ethanamine has a molecular weight of 312.25 g/mol, XLogP of 3.70, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-1-cyclopropyl-N-(2-methoxyethyl)ethanamine is sourced from PubChem (CID 54942465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).