N-[2-(3-bromophenyl)-3-(oxan-4-yl)propyl]cyclopropanamine

C17H24BrNO — CID 79442605

IUPACN-[2-(3-bromophenyl)-3-(oxan-4-yl)propyl]cyclopropanamine
SMILESBrc1cccc(C(CNC2CC2)CC2CCOCC2)c1
InChIInChI=1S/C17H24BrNO/c18-16-3-1-2-14(11-16)15(12-19-17-4-5-17)10-13-6-8-20-9-7-13/h1-3,11,13,15,17,19H,4-10,12H2
InChIKeyUANWICUQNRVJNP-UHFFFAOYSA-N
MW338.29 g/mol
LogP4.10
Rot. Bonds6

About N-[2-(3-bromophenyl)-3-(oxan-4-yl)propyl]cyclopropanamine

N-[2-(3-bromophenyl)-3-(oxan-4-yl)propyl]cyclopropanamine (PubChem CID 79442605) has the molecular formula C17H24BrNO and a molecular weight of 338.29 g/mol. Its IUPAC name is N-[2-(3-bromophenyl)-3-(oxan-4-yl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(3-bromophenyl)-3-(oxan-4-yl)propyl]cyclopropanamine
PubChem CID79442605
Molecular FormulaC17H24BrNO
Molecular Weight338.29 g/mol
Exact Mass337.10
IUPAC NameN-[2-(3-bromophenyl)-3-(oxan-4-yl)propyl]cyclopropanamine
SMILESBrc1cccc(C(CNC2CC2)CC2CCOCC2)c1
InChIInChI=1S/C17H24BrNO/c18-16-3-1-2-14(11-16)15(12-19-17-4-5-17)10-13-6-8-20-9-7-13/h1-3,11,13,15,17,19H,4-10,12H2
InChIKeyUANWICUQNRVJNP-UHFFFAOYSA-N
XLogP4.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(3-bromophenyl)-3-(oxan-4-yl)propyl]cyclopropanamine 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

2-(3-bromophenyl)-3-(cyclopropylamino)propan-1-ol
CID 117242819
N-[2-(3-bromophenyl)-5-methylhexyl]cyclopropanamine
CID 79443132
N-[2-(3-bromophenyl)-3-(furan-3-yl)propyl]cyclopropanamine
CID 83182710
N-[2-(3-bromophenyl)-3-(5-ethylthiophen-2-yl)propyl]cyclopropanamine
CID 79430577
(3-bromophenyl)-(oxan-4-yl)methanamine
CID 63934860
2-(3-chlorophenyl)-N-methyl-3-(oxan-4-yl)propan-1-amine
CID 79442884
N-[2-(3-bromophenyl)-6-methoxyhexyl]cyclopropanamine
CID 104649495
N-[2-(3-bromophenyl)-2-(cyclopropylmethoxy)ethyl]cyclopropanamine
CID 62108746
N-[2-(3-bromophenyl)-4-(3-methoxypropoxy)butyl]cyclopropanamine
CID 103183703
2-(3-bromophenyl)-3-cyclopentylpropan-1-ol
CID 79443530
4-[3-bromo-2-(3-methylphenyl)propyl]oxane
CID 79423563
[(3-bromophenyl)-(oxan-4-yl)methyl]hydrazine
CID 105197946

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromophenyl)-3-(oxan-4-yl)propyl]cyclopropanamine?
The IUPAC name of N-[2-(3-bromophenyl)-3-(oxan-4-yl)propyl]cyclopropanamine (CID 79442605) is N-[2-(3-bromophenyl)-3-(oxan-4-yl)propyl]cyclopropanamine.
What is the SMILES notation for N-[2-(3-bromophenyl)-3-(oxan-4-yl)propyl]cyclopropanamine?
The canonical SMILES for N-[2-(3-bromophenyl)-3-(oxan-4-yl)propyl]cyclopropanamine is Brc1cccc(C(CNC2CC2)CC2CCOCC2)c1.
What is the InChIKey of N-[2-(3-bromophenyl)-3-(oxan-4-yl)propyl]cyclopropanamine?
The InChIKey is UANWICUQNRVJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrNO/c18-16-3-1-2-14(11-16)15(12-19-17-4-5-17)10-13-6-8-20-9-7-13/h1-3,11,13,15,17,19H,4-10,12H2.
What are the key properties of N-[2-(3-bromophenyl)-3-(oxan-4-yl)propyl]cyclopropanamine?
N-[2-(3-bromophenyl)-3-(oxan-4-yl)propyl]cyclopropanamine has a molecular weight of 338.29 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromophenyl)-3-(oxan-4-yl)propyl]cyclopropanamine is sourced from PubChem (CID 79442605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).