N-[2-(4-bromophenyl)-2-cyclopentyloxyethyl]cyclopropanamine

C16H22BrNO — CID 62105937

IUPACN-[2-(4-bromophenyl)-2-cyclopentyloxyethyl]cyclopropanamine
SMILESBrc1ccc(C(CNC2CC2)OC2CCCC2)cc1
InChIInChI=1S/C16H22BrNO/c17-13-7-5-12(6-8-13)16(11-18-14-9-10-14)19-15-3-1-2-4-15/h5-8,14-16,18H,1-4,9-11H2
InChIKeyNYTLFXPOPLHMIS-UHFFFAOYSA-N
MW324.26 g/mol
LogP4.20
Rot. Bonds6

About N-[2-(4-bromophenyl)-2-cyclopentyloxyethyl]cyclopropanamine

N-[2-(4-bromophenyl)-2-cyclopentyloxyethyl]cyclopropanamine (PubChem CID 62105937) has the molecular formula C16H22BrNO and a molecular weight of 324.26 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)-2-cyclopentyloxyethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)-2-cyclopentyloxyethyl]cyclopropanamine
PubChem CID62105937
Molecular FormulaC16H22BrNO
Molecular Weight324.26 g/mol
Exact Mass323.09
IUPAC NameN-[2-(4-bromophenyl)-2-cyclopentyloxyethyl]cyclopropanamine
SMILESBrc1ccc(C(CNC2CC2)OC2CCCC2)cc1
InChIInChI=1S/C16H22BrNO/c17-13-7-5-12(6-8-13)16(11-18-14-9-10-14)19-15-3-1-2-4-15/h5-8,14-16,18H,1-4,9-11H2
InChIKeyNYTLFXPOPLHMIS-UHFFFAOYSA-N
XLogP4.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-bromophenyl)-2-methoxyethyl]cyclopropanamine
CID 62106930
N-[2-(3-bromophenyl)-2-cyclobutyloxyethyl]cyclopropanamine
CID 62382196
N-[2-(4-bromophenyl)-2-(2-cyclopropylethoxy)ethyl]cyclopropanamine
CID 106204912
N-[2-(4-bromophenyl)-2-(4-methylcyclohexyl)oxyethyl]propan-2-amine
CID 63475506
2-(4-bromophenyl)-N-methyl-2-(4-methylcyclohexyl)oxyethanamine
CID 55036283
N-[2-(2-bromophenyl)-2-(4-methylcyclohexyl)oxyethyl]cyclopropanamine
CID 63474611
N-[2-(4-bromophenyl)-5-methylsulfonylpentyl]cyclopropanamine
CID 79438346
N-[2-(4-chlorophenyl)-2-cycloheptyloxyethyl]propan-2-amine
CID 63475562
N-[2-cyclohexyloxy-2-(4-fluorophenyl)ethyl]propan-2-amine
CID 62108612
N-[2-(cyclopentylmethoxy)-2-(4-methylphenyl)ethyl]cyclopropanamine
CID 66322051
2-(4-bromophenyl)-2-(3,4-dimethylcyclohexyl)oxy-N-ethylethanamine
CID 64744560
2-(4-bromophenyl)-2-(3-methylcyclohexyl)oxyethanamine
CID 55015654

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)-2-cyclopentyloxyethyl]cyclopropanamine?
The IUPAC name of N-[2-(4-bromophenyl)-2-cyclopentyloxyethyl]cyclopropanamine (CID 62105937) is N-[2-(4-bromophenyl)-2-cyclopentyloxyethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(4-bromophenyl)-2-cyclopentyloxyethyl]cyclopropanamine?
The canonical SMILES for N-[2-(4-bromophenyl)-2-cyclopentyloxyethyl]cyclopropanamine is Brc1ccc(C(CNC2CC2)OC2CCCC2)cc1.
What is the InChIKey of N-[2-(4-bromophenyl)-2-cyclopentyloxyethyl]cyclopropanamine?
The InChIKey is NYTLFXPOPLHMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO/c17-13-7-5-12(6-8-13)16(11-18-14-9-10-14)19-15-3-1-2-4-15/h5-8,14-16,18H,1-4,9-11H2.
What are the key properties of N-[2-(4-bromophenyl)-2-cyclopentyloxyethyl]cyclopropanamine?
N-[2-(4-bromophenyl)-2-cyclopentyloxyethyl]cyclopropanamine has a molecular weight of 324.26 g/mol, XLogP of 4.20, 6 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-cyclopentyloxyethyl]cyclopropanamine is sourced from PubChem (CID 62105937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).