N-(4-chlorophenyl)-1-(oxan-4-yl)ethane-1,2-diamine

C13H19ClN2O — CID 65382991

IUPACN-(4-chlorophenyl)-1-(oxan-4-yl)ethane-1,2-diamine
SMILESNCC(Nc1ccc(Cl)cc1)C1CCOCC1
InChIInChI=1S/C13H19ClN2O/c14-11-1-3-12(4-2-11)16-13(9-15)10-5-7-17-8-6-10/h1-4,10,13,16H,5-9,15H2
InChIKeyOCLMFPFMNAHJGA-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.51
Rot. Bonds4

About N-(4-chlorophenyl)-1-(oxan-4-yl)ethane-1,2-diamine

N-(4-chlorophenyl)-1-(oxan-4-yl)ethane-1,2-diamine (PubChem CID 65382991) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-(oxan-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-(oxan-4-yl)ethane-1,2-diamine
PubChem CID65382991
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC NameN-(4-chlorophenyl)-1-(oxan-4-yl)ethane-1,2-diamine
SMILESNCC(Nc1ccc(Cl)cc1)C1CCOCC1
InChIInChI=1S/C13H19ClN2O/c14-11-1-3-12(4-2-11)16-13(9-15)10-5-7-17-8-6-10/h1-4,10,13,16H,5-9,15H2
InChIKeyOCLMFPFMNAHJGA-UHFFFAOYSA-N
XLogP2.51
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromo-4-fluorophenyl)-1-(oxan-4-yl)ethane-1,2-diamine
CID 104776290
N-(3-methylphenyl)-1-(oxan-4-yl)ethane-1,2-diamine
CID 65378828
2-(4-chloroanilino)-2-cyclopentylethanol
CID 62072297
ethyl 2-(4-chloroanilino)-2-(oxan-4-yl)acetate
CID 62387239
1-cyclopentyl-N-phenylethane-1,2-diamine
CID 65380108
N-(3-chloro-4-methylphenyl)-1-cyclopropylethane-1,2-diamine
CID 104721795
2-(4-chlorophenyl)sulfanyl-N-methyl-1-(oxan-4-yl)ethanamine
CID 66144743
methyl 2-(4-chloroanilino)-2-(oxolan-3-yl)acetate
CID 54890745
1-cyclopropyl-N-(4-methylsulfonylphenyl)ethane-1,2-diamine
CID 65193383
N-[4-[[2-amino-2-(oxan-4-yl)acetyl]amino]phenyl]-4-chlorobenzamide;hydrochloride
CID 120789553
N-(3-chloro-4-methylphenyl)-1-cyclohexylethane-1,2-diamine
CID 104721878
N-[2-(4-chlorophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine
CID 62906214

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-(oxan-4-yl)ethane-1,2-diamine?
The IUPAC name of N-(4-chlorophenyl)-1-(oxan-4-yl)ethane-1,2-diamine (CID 65382991) is N-(4-chlorophenyl)-1-(oxan-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(4-chlorophenyl)-1-(oxan-4-yl)ethane-1,2-diamine?
The canonical SMILES for N-(4-chlorophenyl)-1-(oxan-4-yl)ethane-1,2-diamine is NCC(Nc1ccc(Cl)cc1)C1CCOCC1.
What is the InChIKey of N-(4-chlorophenyl)-1-(oxan-4-yl)ethane-1,2-diamine?
The InChIKey is OCLMFPFMNAHJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c14-11-1-3-12(4-2-11)16-13(9-15)10-5-7-17-8-6-10/h1-4,10,13,16H,5-9,15H2.
What are the key properties of N-(4-chlorophenyl)-1-(oxan-4-yl)ethane-1,2-diamine?
N-(4-chlorophenyl)-1-(oxan-4-yl)ethane-1,2-diamine has a molecular weight of 254.76 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-(oxan-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 65382991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).