N-[5-[(4-bromophenyl)methoxy]pentyl]cyclopropanamine

C15H22BrNO — CID 82831390

IUPACN-[5-[(4-bromophenyl)methoxy]pentyl]cyclopropanamine
SMILESBrc1ccc(COCCCCCNC2CC2)cc1
InChIInChI=1S/C15H22BrNO/c16-14-6-4-13(5-7-14)12-18-11-3-1-2-10-17-15-8-9-15/h4-7,15,17H,1-3,8-12H2
InChIKeySHPHVAMJLDQUCZ-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.89
Rot. Bonds9

About N-[5-[(4-bromophenyl)methoxy]pentyl]cyclopropanamine

N-[5-[(4-bromophenyl)methoxy]pentyl]cyclopropanamine (PubChem CID 82831390) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is N-[5-[(4-bromophenyl)methoxy]pentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[5-[(4-bromophenyl)methoxy]pentyl]cyclopropanamine
PubChem CID82831390
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC NameN-[5-[(4-bromophenyl)methoxy]pentyl]cyclopropanamine
SMILESBrc1ccc(COCCCCCNC2CC2)cc1
InChIInChI=1S/C15H22BrNO/c16-14-6-4-13(5-7-14)12-18-11-3-1-2-10-17-15-8-9-15/h4-7,15,17H,1-3,8-12H2
InChIKeySHPHVAMJLDQUCZ-UHFFFAOYSA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.89
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-(4-phenylmethoxybutyl)cyclopropanamine
CID 62445391
1-bromo-4-[3-[(4-bromophenyl)methoxy]propoxymethyl]benzene
CID 101050292
3-[(4-bromophenyl)methoxy]-N-methylpropan-1-amine
CID 82831550
N-[5-(4-bromo-2-fluorophenoxy)pentyl]cyclopropanamine
CID 55077009
N-[3-[4-(4-bromophenyl)phenoxy]propyl]cyclopropanamine
CID 63515887
(4-bromophenyl)methyl 3-(cyclopropylamino)propanoate
CID 82823491
N-[3-(1,3-benzodioxol-5-ylmethoxy)propyl]cyclopropanamine
CID 62445720
N-[4-(4-bromo-2-chlorophenoxy)butyl]cyclopropanamine
CID 62485655
N-[[1-[2-[(4-bromophenyl)methoxy]ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 82807547
N-[4-[(2-fluorophenyl)methoxy]butyl]cyclopropanamine
CID 63935145
1-bromo-4-(2-cyclobutylethoxymethyl)benzene
CID 106203728
N,N'-dicyclopropyloctane-1,8-diamine
CID 66337537

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-bromophenyl)methoxy]pentyl]cyclopropanamine?
The IUPAC name of N-[5-[(4-bromophenyl)methoxy]pentyl]cyclopropanamine (CID 82831390) is N-[5-[(4-bromophenyl)methoxy]pentyl]cyclopropanamine.
What is the SMILES notation for N-[5-[(4-bromophenyl)methoxy]pentyl]cyclopropanamine?
The canonical SMILES for N-[5-[(4-bromophenyl)methoxy]pentyl]cyclopropanamine is Brc1ccc(COCCCCCNC2CC2)cc1.
What is the InChIKey of N-[5-[(4-bromophenyl)methoxy]pentyl]cyclopropanamine?
The InChIKey is SHPHVAMJLDQUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c16-14-6-4-13(5-7-14)12-18-11-3-1-2-10-17-15-8-9-15/h4-7,15,17H,1-3,8-12H2.
What are the key properties of N-[5-[(4-bromophenyl)methoxy]pentyl]cyclopropanamine?
N-[5-[(4-bromophenyl)methoxy]pentyl]cyclopropanamine has a molecular weight of 312.25 g/mol, XLogP of 3.89, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-bromophenyl)methoxy]pentyl]cyclopropanamine is sourced from PubChem (CID 82831390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).