(1R)-N-[2-(4-chlorophenoxy)ethyl]-1-(oxan-4-yl)ethanamine

C15H22ClNO2 — CID 97230820

IUPAC(1R)-N-[2-(4-chlorophenoxy)ethyl]-1-(oxan-4-yl)ethanamine
SMILESC[C@@H](NCCOc1ccc(Cl)cc1)C1CCOCC1
InChIInChI=1S/C15H22ClNO2/c1-12(13-6-9-18-10-7-13)17-8-11-19-15-4-2-14(16)3-5-15/h2-5,12-13,17H,6-11H2,1H3/t12-/m1/s1
InChIKeyDTHNSPHIBLCYNJ-GFCCVEGCSA-N
MW283.80 g/mol
LogP3.12
Rot. Bonds6

About (1R)-N-[2-(4-chlorophenoxy)ethyl]-1-(oxan-4-yl)ethanamine

(1R)-N-[2-(4-chlorophenoxy)ethyl]-1-(oxan-4-yl)ethanamine (PubChem CID 97230820) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is (1R)-N-[2-(4-chlorophenoxy)ethyl]-1-(oxan-4-yl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[2-(4-chlorophenoxy)ethyl]-1-(oxan-4-yl)ethanamine
PubChem CID97230820
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name(1R)-N-[2-(4-chlorophenoxy)ethyl]-1-(oxan-4-yl)ethanamine
SMILESC[C@@H](NCCOc1ccc(Cl)cc1)C1CCOCC1
InChIInChI=1S/C15H22ClNO2/c1-12(13-6-9-18-10-7-13)17-8-11-19-15-4-2-14(16)3-5-15/h2-5,12-13,17H,6-11H2,1H3/t12-/m1/s1
InChIKeyDTHNSPHIBLCYNJ-GFCCVEGCSA-N
XLogP3.12
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-cyclopropyl-N-[2-(4-ethoxyphenoxy)ethyl]ethanamine
CID 55024132
1-cyclopropyl-N-[2-(3,5-dichlorophenoxy)ethyl]ethanamine
CID 62585284
(1R)-1-cyclopentyl-N-(2-phenoxyethyl)ethanamine
CID 81393795
N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-1-cyclopropylethanamine
CID 115893937
N-[2-[(4-chlorophenyl)methoxy]ethyl]-1-cyclopropylethanamine
CID 65125135
N-[(2,4-dichlorophenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103768975
N-[2-(4-bromo-3-methylphenoxy)ethyl]-1-cyclopropylethanamine
CID 83140423
(1R)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-(oxan-4-yl)ethanamine
CID 97229301
1-(oxan-4-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine
CID 103271280
N-[(4-chlorophenyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655135
N-(1-cyclohexylethyl)-3-phenoxypropan-1-amine
CID 62381130
N-[(4-butoxyphenyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655195

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[2-(4-chlorophenoxy)ethyl]-1-(oxan-4-yl)ethanamine?
The IUPAC name of (1R)-N-[2-(4-chlorophenoxy)ethyl]-1-(oxan-4-yl)ethanamine (CID 97230820) is (1R)-N-[2-(4-chlorophenoxy)ethyl]-1-(oxan-4-yl)ethanamine.
What is the SMILES notation for (1R)-N-[2-(4-chlorophenoxy)ethyl]-1-(oxan-4-yl)ethanamine?
The canonical SMILES for (1R)-N-[2-(4-chlorophenoxy)ethyl]-1-(oxan-4-yl)ethanamine is C[C@@H](NCCOc1ccc(Cl)cc1)C1CCOCC1.
What is the InChIKey of (1R)-N-[2-(4-chlorophenoxy)ethyl]-1-(oxan-4-yl)ethanamine?
The InChIKey is DTHNSPHIBLCYNJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-12(13-6-9-18-10-7-13)17-8-11-19-15-4-2-14(16)3-5-15/h2-5,12-13,17H,6-11H2,1H3/t12-/m1/s1.
What are the key properties of (1R)-N-[2-(4-chlorophenoxy)ethyl]-1-(oxan-4-yl)ethanamine?
(1R)-N-[2-(4-chlorophenoxy)ethyl]-1-(oxan-4-yl)ethanamine has a molecular weight of 283.80 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[2-(4-chlorophenoxy)ethyl]-1-(oxan-4-yl)ethanamine is sourced from PubChem (CID 97230820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).