N-[[1-[2-(4-bromophenoxy)ethyl]piperidin-2-yl]methyl]cyclopropanamine

C17H25BrN2O — CID 62580767

IUPACN-[[1-[2-(4-bromophenoxy)ethyl]piperidin-2-yl]methyl]cyclopropanamine
SMILESBrc1ccc(OCCN2CCCCC2CNC2CC2)cc1
InChIInChI=1S/C17H25BrN2O/c18-14-4-8-17(9-5-14)21-12-11-20-10-2-1-3-16(20)13-19-15-6-7-15/h4-5,8-9,15-16,19H,1-3,6-7,10-13H2
InChIKeyHYTLABFRAQCIPW-UHFFFAOYSA-N
MW353.30 g/mol
LogP3.43
Rot. Bonds7

About N-[[1-[2-(4-bromophenoxy)ethyl]piperidin-2-yl]methyl]cyclopropanamine

N-[[1-[2-(4-bromophenoxy)ethyl]piperidin-2-yl]methyl]cyclopropanamine (PubChem CID 62580767) has the molecular formula C17H25BrN2O and a molecular weight of 353.30 g/mol. Its IUPAC name is N-[[1-[2-(4-bromophenoxy)ethyl]piperidin-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[2-(4-bromophenoxy)ethyl]piperidin-2-yl]methyl]cyclopropanamine
PubChem CID62580767
Molecular FormulaC17H25BrN2O
Molecular Weight353.30 g/mol
Exact Mass352.12
IUPAC NameN-[[1-[2-(4-bromophenoxy)ethyl]piperidin-2-yl]methyl]cyclopropanamine
SMILESBrc1ccc(OCCN2CCCCC2CNC2CC2)cc1
InChIInChI=1S/C17H25BrN2O/c18-14-4-8-17(9-5-14)21-12-11-20-10-2-1-3-16(20)13-19-15-6-7-15/h4-5,8-9,15-16,19H,1-3,6-7,10-13H2
InChIKeyHYTLABFRAQCIPW-UHFFFAOYSA-N
XLogP3.43
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-[2-(4-bromophenoxy)ethyl]piperidin-2-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

1-[1-[2-(4-bromophenoxy)ethyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 54986156
N-[[4-[2-(4-bromophenoxy)ethyl]morpholin-3-yl]methyl]cyclopropanamine
CID 83102043
N-[[1-(3-phenoxypropyl)piperidin-2-yl]methyl]cyclopropanamine
CID 62937477
1-[2-(4-bromophenoxy)ethyl]-2-(chloromethyl)azepane
CID 116638587
methyl 2-[1-[2-(4-bromophenoxy)ethyl]piperidin-2-yl]acetate
CID 61360606
1-[2-(4-bromophenoxy)ethyl]-2,3,3a,4,5,6,7,7a-octahydroindole
CID 82751108
2-methyl-N-[[1-(2-phenoxyethyl)piperidin-2-yl]methyl]propan-2-amine
CID 62580601
N-[[4-[2-(3-bromophenoxy)ethyl]morpholin-3-yl]methyl]cyclopropanamine
CID 83102040
[1-[2-(4-propoxyphenoxy)ethyl]piperidin-2-yl]methanol
CID 60684684
N-[2-(4-bromophenoxy)ethyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 60696322
N-methyl-1-[1-(2-phenoxyethyl)pyrrolidin-2-yl]methanamine;hydrochloride
CID 119928558
(2R)-1-[2-(4-methoxyphenoxy)ethyl]-2-methylpiperidine
CID 166625466

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(4-bromophenoxy)ethyl]piperidin-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[2-(4-bromophenoxy)ethyl]piperidin-2-yl]methyl]cyclopropanamine (CID 62580767) is N-[[1-[2-(4-bromophenoxy)ethyl]piperidin-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[2-(4-bromophenoxy)ethyl]piperidin-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[2-(4-bromophenoxy)ethyl]piperidin-2-yl]methyl]cyclopropanamine is Brc1ccc(OCCN2CCCCC2CNC2CC2)cc1.
What is the InChIKey of N-[[1-[2-(4-bromophenoxy)ethyl]piperidin-2-yl]methyl]cyclopropanamine?
The InChIKey is HYTLABFRAQCIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O/c18-14-4-8-17(9-5-14)21-12-11-20-10-2-1-3-16(20)13-19-15-6-7-15/h4-5,8-9,15-16,19H,1-3,6-7,10-13H2.
What are the key properties of N-[[1-[2-(4-bromophenoxy)ethyl]piperidin-2-yl]methyl]cyclopropanamine?
N-[[1-[2-(4-bromophenoxy)ethyl]piperidin-2-yl]methyl]cyclopropanamine has a molecular weight of 353.30 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(4-bromophenoxy)ethyl]piperidin-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62580767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).