N-[2-(4-bromo-2-methylphenoxy)-2-phenylethyl]cyclopropanamine

C18H20BrNO — CID 63497564

IUPACN-[2-(4-bromo-2-methylphenoxy)-2-phenylethyl]cyclopropanamine
SMILESCc1cc(Br)ccc1OC(CNC1CC1)c1ccccc1
InChIInChI=1S/C18H20BrNO/c1-13-11-15(19)7-10-17(13)21-18(12-20-16-8-9-16)14-5-3-2-4-6-14/h2-7,10-11,16,18,20H,8-9,12H2,1H3
InChIKeyQZPLGCVETRHLDW-UHFFFAOYSA-N
MW346.27 g/mol
LogP4.63
Rot. Bonds6

About N-[2-(4-bromo-2-methylphenoxy)-2-phenylethyl]cyclopropanamine

N-[2-(4-bromo-2-methylphenoxy)-2-phenylethyl]cyclopropanamine (PubChem CID 63497564) has the molecular formula C18H20BrNO and a molecular weight of 346.27 g/mol. Its IUPAC name is N-[2-(4-bromo-2-methylphenoxy)-2-phenylethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(4-bromo-2-methylphenoxy)-2-phenylethyl]cyclopropanamine
PubChem CID63497564
Molecular FormulaC18H20BrNO
Molecular Weight346.27 g/mol
Exact Mass345.07
IUPAC NameN-[2-(4-bromo-2-methylphenoxy)-2-phenylethyl]cyclopropanamine
SMILESCc1cc(Br)ccc1OC(CNC1CC1)c1ccccc1
InChIInChI=1S/C18H20BrNO/c1-13-11-15(19)7-10-17(13)21-18(12-20-16-8-9-16)14-5-3-2-4-6-14/h2-7,10-11,16,18,20H,8-9,12H2,1H3
InChIKeyQZPLGCVETRHLDW-UHFFFAOYSA-N
XLogP4.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-chloro-2-methylphenoxy)-2-phenylethyl]cyclopropanamine
CID 62458732
N-[2-(4-bromo-2-methylphenoxy)butyl]cyclopropanamine
CID 63216643
N-[2-(2-ethylphenoxy)-2-phenylethyl]cyclopropanamine
CID 62485001
N-[2-(3-fluoro-4-methylphenoxy)-2-phenylethyl]cyclopropanamine
CID 107170780
N-[2-(4-bromophenyl)-2-methoxyethyl]cyclopropanamine
CID 62106930
N-[2-(2,4-dibromophenoxy)-2-phenylethyl]propan-2-amine
CID 64721768
N-[2-(3-bromophenyl)-2-(cyclopropylmethoxy)ethyl]cyclopropanamine
CID 62108746
2-(4-bromo-2-methylphenoxy)-2-(4-bromophenyl)ethanamine
CID 55191488
N-[2-(3-fluorophenoxy)-2-phenylethyl]cyclopropanamine
CID 62458340
2-(4-bromo-2-chlorophenoxy)-N-ethyl-2-phenylethanamine
CID 63498240
N-(2-pentoxy-2-phenylethyl)cyclopropanamine
CID 55036631
N-[2-(3-bromophenyl)-2-cyclobutyloxyethyl]cyclopropanamine
CID 62382196

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromo-2-methylphenoxy)-2-phenylethyl]cyclopropanamine?
The IUPAC name of N-[2-(4-bromo-2-methylphenoxy)-2-phenylethyl]cyclopropanamine (CID 63497564) is N-[2-(4-bromo-2-methylphenoxy)-2-phenylethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(4-bromo-2-methylphenoxy)-2-phenylethyl]cyclopropanamine?
The canonical SMILES for N-[2-(4-bromo-2-methylphenoxy)-2-phenylethyl]cyclopropanamine is Cc1cc(Br)ccc1OC(CNC1CC1)c1ccccc1.
What is the InChIKey of N-[2-(4-bromo-2-methylphenoxy)-2-phenylethyl]cyclopropanamine?
The InChIKey is QZPLGCVETRHLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO/c1-13-11-15(19)7-10-17(13)21-18(12-20-16-8-9-16)14-5-3-2-4-6-14/h2-7,10-11,16,18,20H,8-9,12H2,1H3.
What are the key properties of N-[2-(4-bromo-2-methylphenoxy)-2-phenylethyl]cyclopropanamine?
N-[2-(4-bromo-2-methylphenoxy)-2-phenylethyl]cyclopropanamine has a molecular weight of 346.27 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromo-2-methylphenoxy)-2-phenylethyl]cyclopropanamine is sourced from PubChem (CID 63497564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).