N-(3-bromophenyl)oxan-4-amine

C11H14BrNO — CID 43608425

IUPACN-(3-bromophenyl)oxan-4-amine
SMILESBrc1cccc(NC2CCOCC2)c1
InChIInChI=1S/C11H14BrNO/c12-9-2-1-3-11(8-9)13-10-4-6-14-7-5-10/h1-3,8,10,13H,4-7H2
InChIKeyWQWUSTYJQOYFIF-UHFFFAOYSA-N
MW256.14 g/mol
LogP3.04
Rot. Bonds2

About N-(3-bromophenyl)oxan-4-amine

N-(3-bromophenyl)oxan-4-amine (PubChem CID 43608425) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is N-(3-bromophenyl)oxan-4-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)oxan-4-amine
PubChem CID43608425
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC NameN-(3-bromophenyl)oxan-4-amine
SMILESBrc1cccc(NC2CCOCC2)c1
InChIInChI=1S/C11H14BrNO/c12-9-2-1-3-11(8-9)13-10-4-6-14-7-5-10/h1-3,8,10,13H,4-7H2
InChIKeyWQWUSTYJQOYFIF-UHFFFAOYSA-N
XLogP3.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3-bromophenyl)oxan-4-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

N-(6-bromonaphthalen-2-yl)oxan-4-amine
CID 81260159
N'-(3-bromophenyl)-N-(oxan-4-yl)ethane-1,2-diamine
CID 75499211
3-bromo-N-(4-tert-butylcyclohexyl)aniline
CID 28546222
3-bromo-N-(4-phenylcyclohexyl)aniline
CID 29031587
3-bromo-N-[2-(oxan-4-yloxy)ethyl]aniline
CID 62583480
trans-(1R,2R)-1-N,2-N-bis(3-bromophenyl)cyclohexane-1,2-diamine
CID 12024701
N-ethyl-3-(oxan-4-ylamino)benzamide
CID 43680696
N-(3-propan-2-ylphenyl)oxepan-4-amine
CID 65076670
N-(3-methylsulfanylphenyl)oxepan-4-amine
CID 65076766
4-N-(oxan-4-yl)benzene-1,2,4-triamine
CID 106750455
2-bromo-5-(oxan-4-ylamino)benzonitrile
CID 162343078
5-(oxan-4-ylamino)-2,3-dihydro-1H-inden-1-ol
CID 83824135

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)oxan-4-amine?
The IUPAC name of N-(3-bromophenyl)oxan-4-amine (CID 43608425) is N-(3-bromophenyl)oxan-4-amine.
What is the SMILES notation for N-(3-bromophenyl)oxan-4-amine?
The canonical SMILES for N-(3-bromophenyl)oxan-4-amine is Brc1cccc(NC2CCOCC2)c1.
What is the InChIKey of N-(3-bromophenyl)oxan-4-amine?
The InChIKey is WQWUSTYJQOYFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c12-9-2-1-3-11(8-9)13-10-4-6-14-7-5-10/h1-3,8,10,13H,4-7H2.
What are the key properties of N-(3-bromophenyl)oxan-4-amine?
N-(3-bromophenyl)oxan-4-amine has a molecular weight of 256.14 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)oxan-4-amine is sourced from PubChem (CID 43608425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).