1-(3-chlorophenyl)-1-(oxan-4-yloxy)propan-2-amine

C14H20ClNO2 — CID 55019422

IUPAC1-(3-chlorophenyl)-1-(oxan-4-yloxy)propan-2-amine
SMILESCC(N)C(OC1CCOCC1)c1cccc(Cl)c1
InChIInChI=1S/C14H20ClNO2/c1-10(16)14(11-3-2-4-12(15)9-11)18-13-5-7-17-8-6-13/h2-4,9-10,13-14H,5-8,16H2,1H3
InChIKeyWABMVIJUQJRURO-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.92
Rot. Bonds4

About 1-(3-chlorophenyl)-1-(oxan-4-yloxy)propan-2-amine

1-(3-chlorophenyl)-1-(oxan-4-yloxy)propan-2-amine (PubChem CID 55019422) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-1-(oxan-4-yloxy)propan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-1-(oxan-4-yloxy)propan-2-amine
PubChem CID55019422
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name1-(3-chlorophenyl)-1-(oxan-4-yloxy)propan-2-amine
SMILESCC(N)C(OC1CCOCC1)c1cccc(Cl)c1
InChIInChI=1S/C14H20ClNO2/c1-10(16)14(11-3-2-4-12(15)9-11)18-13-5-7-17-8-6-13/h2-4,9-10,13-14H,5-8,16H2,1H3
InChIKeyWABMVIJUQJRURO-UHFFFAOYSA-N
XLogP2.92
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(oxan-4-yloxy)-1-phenylpropan-2-amine
CID 55017189
(S)-(3-chlorophenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171239392
1-cyclopentyloxy-1-(3-methylphenyl)propan-2-amine
CID 55020466
2-(3-chlorophenyl)-2-(oxolan-3-yloxy)ethanamine
CID 63559032
1-(3-fluorophenyl)-1-(4-methylcyclohexyl)oxypropan-2-amine
CID 55020306
N-[2-(3-chlorophenyl)-2-(oxolan-3-yloxy)ethyl]propan-2-amine
CID 63556687
1-(4-chlorophenyl)-1-cyclohexyloxypropan-2-amine
CID 55015439
1-cyclohexyloxy-1-phenylpropan-2-amine
CID 55017556
1-(3-chlorophenyl)-1-(4-methylphenoxy)propan-2-amine
CID 55019897
1-(3-chlorophenyl)-1-(3-methylbutoxy)propan-2-amine
CID 55019946
1-(3-fluorophenyl)-1-(oxan-4-ylmethoxy)propan-2-amine
CID 55066001
1-(3-chlorophenyl)-1-hexoxypropan-2-amine
CID 55019805

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-1-(oxan-4-yloxy)propan-2-amine?
The IUPAC name of 1-(3-chlorophenyl)-1-(oxan-4-yloxy)propan-2-amine (CID 55019422) is 1-(3-chlorophenyl)-1-(oxan-4-yloxy)propan-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-1-(oxan-4-yloxy)propan-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)-1-(oxan-4-yloxy)propan-2-amine is CC(N)C(OC1CCOCC1)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-1-(oxan-4-yloxy)propan-2-amine?
The InChIKey is WABMVIJUQJRURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-10(16)14(11-3-2-4-12(15)9-11)18-13-5-7-17-8-6-13/h2-4,9-10,13-14H,5-8,16H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-1-(oxan-4-yloxy)propan-2-amine?
1-(3-chlorophenyl)-1-(oxan-4-yloxy)propan-2-amine has a molecular weight of 269.77 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-1-(oxan-4-yloxy)propan-2-amine is sourced from PubChem (CID 55019422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).