N-[4-(5-bromo-2-methoxy-4-methylphenyl)butyl]cyclopropanamine

C15H22BrNO — CID 65434549

IUPACN-[4-(5-bromo-2-methoxy-4-methylphenyl)butyl]cyclopropanamine
SMILESCOc1cc(C)c(Br)cc1CCCCNC1CC1
InChIInChI=1S/C15H22BrNO/c1-11-9-15(18-2)12(10-14(11)16)5-3-4-8-17-13-6-7-13/h9-10,13,17H,3-8H2,1-2H3
InChIKeyHYSVUJGBCIGLKR-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.84
Rot. Bonds7

About N-[4-(5-bromo-2-methoxy-4-methylphenyl)butyl]cyclopropanamine

N-[4-(5-bromo-2-methoxy-4-methylphenyl)butyl]cyclopropanamine (PubChem CID 65434549) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is N-[4-(5-bromo-2-methoxy-4-methylphenyl)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-(5-bromo-2-methoxy-4-methylphenyl)butyl]cyclopropanamine
PubChem CID65434549
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC NameN-[4-(5-bromo-2-methoxy-4-methylphenyl)butyl]cyclopropanamine
SMILESCOc1cc(C)c(Br)cc1CCCCNC1CC1
InChIInChI=1S/C15H22BrNO/c1-11-9-15(18-2)12(10-14(11)16)5-3-4-8-17-13-6-7-13/h9-10,13,17H,3-8H2,1-2H3
InChIKeyHYSVUJGBCIGLKR-UHFFFAOYSA-N
XLogP3.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.84
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

4-(5-bromo-2-methoxy-4-methylphenyl)-N-(2-methylpropyl)butan-1-amine
CID 65433200
5-(5-bromo-2-methoxy-4-methylphenyl)-N-(2-methoxyethyl)pentan-1-amine
CID 65432429
N-[3-(4-methoxy-2,5-dimethylphenyl)propyl]cyclopentanamine
CID 98017163
N-[4-(2-bromo-4,5-diethoxyphenyl)butyl]cyclopropanamine
CID 65305843
N-[6-(3,4-dimethylphenyl)hexyl]cyclopropanamine
CID 65308417
N-[4-(2,4,5-trimethylphenyl)butyl]cyclopentanamine
CID 98017018
N-[2-(2,4-dimethoxyphenyl)ethyl]cyclopropanamine
CID 62801628
N-[5-(2-ethoxy-5-methylphenyl)pentyl]cyclopropanamine
CID 65305770
N-[5-(2,5-dibromo-4-methylphenyl)-3-methylpentyl]cyclopropanamine
CID 81470336
N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]pyrrolidin-3-amine
CID 115118996
N-[6-(4-bromo-3-methylphenoxy)hexyl]cyclopropanamine
CID 83134751
5-(5-bromo-2-methoxy-4-methylphenyl)-N,3-dimethylpentan-1-amine
CID 65433204

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-bromo-2-methoxy-4-methylphenyl)butyl]cyclopropanamine?
The IUPAC name of N-[4-(5-bromo-2-methoxy-4-methylphenyl)butyl]cyclopropanamine (CID 65434549) is N-[4-(5-bromo-2-methoxy-4-methylphenyl)butyl]cyclopropanamine.
What is the SMILES notation for N-[4-(5-bromo-2-methoxy-4-methylphenyl)butyl]cyclopropanamine?
The canonical SMILES for N-[4-(5-bromo-2-methoxy-4-methylphenyl)butyl]cyclopropanamine is COc1cc(C)c(Br)cc1CCCCNC1CC1.
What is the InChIKey of N-[4-(5-bromo-2-methoxy-4-methylphenyl)butyl]cyclopropanamine?
The InChIKey is HYSVUJGBCIGLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-11-9-15(18-2)12(10-14(11)16)5-3-4-8-17-13-6-7-13/h9-10,13,17H,3-8H2,1-2H3.
What are the key properties of N-[4-(5-bromo-2-methoxy-4-methylphenyl)butyl]cyclopropanamine?
N-[4-(5-bromo-2-methoxy-4-methylphenyl)butyl]cyclopropanamine has a molecular weight of 312.25 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-bromo-2-methoxy-4-methylphenyl)butyl]cyclopropanamine is sourced from PubChem (CID 65434549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).