N-[4-(3-bromophenoxy)pentyl]cyclopropanamine

C14H20BrNO — CID 55076658

IUPACN-[4-(3-bromophenoxy)pentyl]cyclopropanamine
SMILESCC(CCCNC1CC1)Oc1cccc(Br)c1
InChIInChI=1S/C14H20BrNO/c1-11(4-3-9-16-13-7-8-13)17-14-6-2-5-12(15)10-14/h2,5-6,10-11,13,16H,3-4,7-9H2,1H3
InChIKeyYMPQKSDWMZXMKV-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.75
Rot. Bonds7

About N-[4-(3-bromophenoxy)pentyl]cyclopropanamine

N-[4-(3-bromophenoxy)pentyl]cyclopropanamine (PubChem CID 55076658) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is N-[4-(3-bromophenoxy)pentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-(3-bromophenoxy)pentyl]cyclopropanamine
PubChem CID55076658
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC NameN-[4-(3-bromophenoxy)pentyl]cyclopropanamine
SMILESCC(CCCNC1CC1)Oc1cccc(Br)c1
InChIInChI=1S/C14H20BrNO/c1-11(4-3-9-16-13-7-8-13)17-14-6-2-5-12(15)10-14/h2,5-6,10-11,13,16H,3-4,7-9H2,1H3
InChIKeyYMPQKSDWMZXMKV-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.75
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-(4-chloro-3,5-dimethylphenoxy)pentyl]cyclopropanamine
CID 62486274
N-[2-(3-bromophenoxy)butyl]cyclopropanamine
CID 62460625
N-[2-(3-bromophenoxy)propyl]-3-methylbutan-1-amine
CID 62570902
1-bromo-3-(1-cyclohexylethoxy)benzene
CID 126754548
[(1S)-1-(3-bromophenoxy)ethyl]cycloheptane
CID 126753998
N-[4-(2-methylsulfanylphenoxy)pentyl]cyclopropanamine
CID 63649238
N-[4-(2-chloro-5-methylphenoxy)pentyl]cyclopropanamine
CID 62485336
4-(3-methylphenoxy)-N-propan-2-ylpentan-1-amine
CID 62452888
N-[3-(3-propan-2-yloxyphenyl)butyl]cyclopropanamine
CID 81019891
N-[2-(3-bromophenoxy)propyl]oxane-4-carboxamide
CID 71993929
4-[2-(3-bromophenoxy)ethylamino]cyclohexane-1-carboxylic acid
CID 60809216
N-[3-(3-bromophenyl)sulfanylpropyl]cyclopropanamine
CID 62803375

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-bromophenoxy)pentyl]cyclopropanamine?
The IUPAC name of N-[4-(3-bromophenoxy)pentyl]cyclopropanamine (CID 55076658) is N-[4-(3-bromophenoxy)pentyl]cyclopropanamine.
What is the SMILES notation for N-[4-(3-bromophenoxy)pentyl]cyclopropanamine?
The canonical SMILES for N-[4-(3-bromophenoxy)pentyl]cyclopropanamine is CC(CCCNC1CC1)Oc1cccc(Br)c1.
What is the InChIKey of N-[4-(3-bromophenoxy)pentyl]cyclopropanamine?
The InChIKey is YMPQKSDWMZXMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-11(4-3-9-16-13-7-8-13)17-14-6-2-5-12(15)10-14/h2,5-6,10-11,13,16H,3-4,7-9H2,1H3.
What are the key properties of N-[4-(3-bromophenoxy)pentyl]cyclopropanamine?
N-[4-(3-bromophenoxy)pentyl]cyclopropanamine has a molecular weight of 298.22 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-bromophenoxy)pentyl]cyclopropanamine is sourced from PubChem (CID 55076658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).