N-[(1R)-1-(4-chlorophenyl)ethyl]oxan-4-amine

C13H18ClNO — CID 81353413

IUPACN-[(1R)-1-(4-chlorophenyl)ethyl]oxan-4-amine
SMILESC[C@@H](NC1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO/c1-10(11-2-4-12(14)5-3-11)15-13-6-8-16-9-7-13/h2-5,10,13,15H,6-9H2,1H3/t10-/m1/s1
InChIKeyILINRKBNACXQFT-SNVBAGLBSA-N
MW239.75 g/mol
LogP3.17
Rot. Bonds3

About N-[(1R)-1-(4-chlorophenyl)ethyl]oxan-4-amine

N-[(1R)-1-(4-chlorophenyl)ethyl]oxan-4-amine (PubChem CID 81353413) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is N-[(1R)-1-(4-chlorophenyl)ethyl]oxan-4-amine.

Molecular Properties

Compound NameN-[(1R)-1-(4-chlorophenyl)ethyl]oxan-4-amine
PubChem CID81353413
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC NameN-[(1R)-1-(4-chlorophenyl)ethyl]oxan-4-amine
SMILESC[C@@H](NC1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO/c1-10(11-2-4-12(14)5-3-11)15-13-6-8-16-9-7-13/h2-5,10,13,15H,6-9H2,1H3/t10-/m1/s1
InChIKeyILINRKBNACXQFT-SNVBAGLBSA-N
XLogP3.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(4-bromophenyl)ethyl]oxan-4-amine
CID 81354361
4-[1-(oxan-4-ylamino)ethyl]phenol
CID 43609894
N-[(1S)-1-(4-chlorophenyl)ethyl]oxetan-3-amine
CID 81352324
N-(1-phenylethyl)oxan-4-amine
CID 43608319
N-[1-(3,4-dichlorophenyl)ethyl]oxan-4-amine
CID 43608497
N-[(1S)-1-pyridin-4-ylethyl]oxan-4-amine
CID 81405595
N-[(1R)-1-(4-chlorophenyl)ethyl]-4,4-dimethylcyclohexan-1-amine
CID 81353525
N-[1-(2,3,4-trichlorophenyl)ethyl]oxan-4-amine
CID 43778517
N-[1-(4-chlorophenyl)ethyl]-1-methylpiperidin-4-amine
CID 43181057
N-[1-(4-methylsulfonylphenyl)ethyl]oxan-4-amine
CID 43609832
N-[1-(3-chloro-4-fluorophenyl)ethyl]oxolan-3-amine
CID 80717161
N-[1-(4-chlorophenyl)ethyl]-1-oxothian-4-amine
CID 54981751

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]oxan-4-amine?
The IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]oxan-4-amine (CID 81353413) is N-[(1R)-1-(4-chlorophenyl)ethyl]oxan-4-amine.
What is the SMILES notation for N-[(1R)-1-(4-chlorophenyl)ethyl]oxan-4-amine?
The canonical SMILES for N-[(1R)-1-(4-chlorophenyl)ethyl]oxan-4-amine is C[C@@H](NC1CCOCC1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1R)-1-(4-chlorophenyl)ethyl]oxan-4-amine?
The InChIKey is ILINRKBNACXQFT-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-10(11-2-4-12(14)5-3-11)15-13-6-8-16-9-7-13/h2-5,10,13,15H,6-9H2,1H3/t10-/m1/s1.
What are the key properties of N-[(1R)-1-(4-chlorophenyl)ethyl]oxan-4-amine?
N-[(1R)-1-(4-chlorophenyl)ethyl]oxan-4-amine has a molecular weight of 239.75 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-chlorophenyl)ethyl]oxan-4-amine is sourced from PubChem (CID 81353413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).