1-[3-bromo-4-(cyclopropylmethoxy)phenyl]propan-2-amine

C13H18BrNO — CID 63052009

IUPAC1-[3-bromo-4-(cyclopropylmethoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(OCC2CC2)c(Br)c1
InChIInChI=1S/C13H18BrNO/c1-9(15)6-11-4-5-13(12(14)7-11)16-8-10-2-3-10/h4-5,7,9-10H,2-3,6,8,15H2,1H3
InChIKeyCFRZHSYYYOHUDO-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.13
Rot. Bonds5

About 1-[3-bromo-4-(cyclopropylmethoxy)phenyl]propan-2-amine

1-[3-bromo-4-(cyclopropylmethoxy)phenyl]propan-2-amine (PubChem CID 63052009) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 1-[3-bromo-4-(cyclopropylmethoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-bromo-4-(cyclopropylmethoxy)phenyl]propan-2-amine
PubChem CID63052009
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name1-[3-bromo-4-(cyclopropylmethoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(OCC2CC2)c(Br)c1
InChIInChI=1S/C13H18BrNO/c1-9(15)6-11-4-5-13(12(14)7-11)16-8-10-2-3-10/h4-5,7,9-10H,2-3,6,8,15H2,1H3
InChIKeyCFRZHSYYYOHUDO-UHFFFAOYSA-N
XLogP3.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[3-bromo-4-(cyclopropylmethoxy)phenyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-bromo-4-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]propan-2-amine
CID 116523117
1-[4-(cyclopentylmethoxy)-3-ethoxyphenyl]propan-2-amine
CID 61342843
1-[3-bromo-4-(2-fluoroethoxy)phenyl]propan-2-amine
CID 80696097
2-bromo-1-(cyclopropylmethoxy)-4-(methylsulfanylmethyl)benzene
CID 139341709
1-[3-bromo-4-(4-methoxybutoxy)phenyl]propan-2-amine
CID 104648836
1-[3-bromo-4-(4-methylcyclohexyl)oxyphenyl]propan-2-amine
CID 64775881
[3-bromo-4-(cyclobutylmethoxy)phenyl]methanamine
CID 65457318
1-[3-bromo-4-(cyclopropylmethoxy)phenyl]-N-methoxymethanamine
CID 117460986
1-[4-bromo-3-(cyclopropylmethoxy)phenyl]propan-2-ol
CID 117459052
1-[2-(cyclopropylmethoxy)-5-propylphenyl]propan-2-amine;hydrochloride
CID 170894127
2-[4-(2-aminopropyl)-2-bromophenoxy]-N-cyclopropyl-N-methylacetamide
CID 63051843
1-[3-bromo-4-(oxolan-3-ylmethoxy)phenyl]butan-2-amine
CID 63052364

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-4-(cyclopropylmethoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[3-bromo-4-(cyclopropylmethoxy)phenyl]propan-2-amine (CID 63052009) is 1-[3-bromo-4-(cyclopropylmethoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-bromo-4-(cyclopropylmethoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[3-bromo-4-(cyclopropylmethoxy)phenyl]propan-2-amine is CC(N)Cc1ccc(OCC2CC2)c(Br)c1.
What is the InChIKey of 1-[3-bromo-4-(cyclopropylmethoxy)phenyl]propan-2-amine?
The InChIKey is CFRZHSYYYOHUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-9(15)6-11-4-5-13(12(14)7-11)16-8-10-2-3-10/h4-5,7,9-10H,2-3,6,8,15H2,1H3.
What are the key properties of 1-[3-bromo-4-(cyclopropylmethoxy)phenyl]propan-2-amine?
1-[3-bromo-4-(cyclopropylmethoxy)phenyl]propan-2-amine has a molecular weight of 284.20 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-4-(cyclopropylmethoxy)phenyl]propan-2-amine is sourced from PubChem (CID 63052009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).