N-[1-(3,4-dichlorophenyl)ethyl]oxan-4-amine

C13H17Cl2NO — CID 43608497

IUPACN-[1-(3,4-dichlorophenyl)ethyl]oxan-4-amine
SMILESCC(NC1CCOCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H17Cl2NO/c1-9(16-11-4-6-17-7-5-11)10-2-3-12(14)13(15)8-10/h2-3,8-9,11,16H,4-7H2,1H3
InChIKeyTWUHFHWLDXBPFM-UHFFFAOYSA-N
MW274.19 g/mol
LogP3.82
Rot. Bonds3

About N-[1-(3,4-dichlorophenyl)ethyl]oxan-4-amine

N-[1-(3,4-dichlorophenyl)ethyl]oxan-4-amine (PubChem CID 43608497) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is N-[1-(3,4-dichlorophenyl)ethyl]oxan-4-amine.

Molecular Properties

Compound NameN-[1-(3,4-dichlorophenyl)ethyl]oxan-4-amine
PubChem CID43608497
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC NameN-[1-(3,4-dichlorophenyl)ethyl]oxan-4-amine
SMILESCC(NC1CCOCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H17Cl2NO/c1-9(16-11-4-6-17-7-5-11)10-2-3-12(14)13(15)8-10/h2-3,8-9,11,16H,4-7H2,1H3
InChIKeyTWUHFHWLDXBPFM-UHFFFAOYSA-N
XLogP3.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(3,4-dichlorophenyl)ethyl]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-[1-(3,4-dichlorophenyl)ethyl]cyclohexanamine
CID 43078885
N-[(1R)-1-(4-chlorophenyl)ethyl]oxan-4-amine
CID 81353413
N-[1-(3,4-dichlorophenyl)ethyl]thian-4-amine
CID 43394908
N-[1-(3-chloro-4-fluorophenyl)ethyl]oxolan-3-amine
CID 80717161
N-[(1S)-1-pyridin-4-ylethyl]oxan-4-amine
CID 81405595
N-[1-(3,4-dichlorophenyl)ethyl]-3-propan-2-ylcyclohexan-1-amine
CID 107447869
N-[(1S)-1-(4-bromophenyl)ethyl]oxan-4-amine
CID 81354361
4-[1-(oxan-4-ylamino)ethyl]phenol
CID 43609894
N-[1-(2,3,4-trichlorophenyl)ethyl]oxan-4-amine
CID 43778517
N-(1-phenylethyl)oxan-4-amine
CID 43608319
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]oxan-4-amine
CID 43609831
N-[1-(3,4-dichlorophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 43223783

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dichlorophenyl)ethyl]oxan-4-amine?
The IUPAC name of N-[1-(3,4-dichlorophenyl)ethyl]oxan-4-amine (CID 43608497) is N-[1-(3,4-dichlorophenyl)ethyl]oxan-4-amine.
What is the SMILES notation for N-[1-(3,4-dichlorophenyl)ethyl]oxan-4-amine?
The canonical SMILES for N-[1-(3,4-dichlorophenyl)ethyl]oxan-4-amine is CC(NC1CCOCC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[1-(3,4-dichlorophenyl)ethyl]oxan-4-amine?
The InChIKey is TWUHFHWLDXBPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c1-9(16-11-4-6-17-7-5-11)10-2-3-12(14)13(15)8-10/h2-3,8-9,11,16H,4-7H2,1H3.
What are the key properties of N-[1-(3,4-dichlorophenyl)ethyl]oxan-4-amine?
N-[1-(3,4-dichlorophenyl)ethyl]oxan-4-amine has a molecular weight of 274.19 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dichlorophenyl)ethyl]oxan-4-amine is sourced from PubChem (CID 43608497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).