(R)-oxan-4-yl-(4-propan-2-yloxyphenyl)methanamine;hydrochloride

C15H24ClNO2 — CID 171250022

IUPAC(R)-oxan-4-yl-(4-propan-2-yloxyphenyl)methanamine;hydrochloride
SMILESCC(C)Oc1ccc([C@H](N)C2CCOCC2)cc1.Cl
InChIInChI=1S/C15H23NO2.ClH/c1-11(2)18-14-5-3-12(4-6-14)15(16)13-7-9-17-10-8-13;/h3-6,11,13,15H,7-10,16H2,1-2H3;1H/t15-;/m0./s1
InChIKeyPUXKGZZENFIUAY-RSAXXLAASA-N
MW285.81 g/mol
LogP3.32
Rot. Bonds4

About (R)-oxan-4-yl-(4-propan-2-yloxyphenyl)methanamine;hydrochloride

(R)-oxan-4-yl-(4-propan-2-yloxyphenyl)methanamine;hydrochloride (PubChem CID 171250022) has the molecular formula C15H24ClNO2 and a molecular weight of 285.81 g/mol. Its IUPAC name is (R)-oxan-4-yl-(4-propan-2-yloxyphenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(R)-oxan-4-yl-(4-propan-2-yloxyphenyl)methanamine;hydrochloride
PubChem CID171250022
Molecular FormulaC15H24ClNO2
Molecular Weight285.81 g/mol
Exact Mass285.15
IUPAC Name(R)-oxan-4-yl-(4-propan-2-yloxyphenyl)methanamine;hydrochloride
SMILESCC(C)Oc1ccc([C@H](N)C2CCOCC2)cc1.Cl
InChIInChI=1S/C15H23NO2.ClH/c1-11(2)18-14-5-3-12(4-6-14)15(16)13-7-9-17-10-8-13;/h3-6,11,13,15H,7-10,16H2,1-2H3;1H/t15-;/m0./s1
InChIKeyPUXKGZZENFIUAY-RSAXXLAASA-N
XLogP3.32
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.81
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (R)-oxan-4-yl-(4-propan-2-yloxyphenyl)methanamine;hydrochloride 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

(S)-(4-methylphenyl)-(oxan-4-yl)methanamine
CID 94891785
oxan-4-yl-(4-phenoxyphenyl)methanamine
CID 62906011
(S)-(4-fluorophenyl)-(oxan-4-yl)methanamine
CID 94891777
(R)-(4-fluorophenyl)-(oxan-4-yl)methanamine
CID 94891776
4-[(R)-amino(oxan-4-yl)methyl]phenol
CID 131289814
2-(oxan-4-ylsulfanyl)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 64626162
methyl 4-[(R)-amino(oxan-4-yl)methyl]benzoate;hydrochloride
CID 171250591
N-[oxan-4-yl-(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 62905659
(5-methyloxolan-2-yl)-(4-propan-2-yloxyphenyl)methanamine
CID 81331050
(R)-naphthalen-2-yl(oxan-4-yl)methanamine;hydrochloride
CID 171246772
N-methyl-1-(oxolan-3-yl)-1-(4-propan-2-yloxyphenyl)methanamine
CID 61276553
N-[oxan-4-yl-(4-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 62906368

Frequently Asked Questions

What is the IUPAC name of (R)-oxan-4-yl-(4-propan-2-yloxyphenyl)methanamine;hydrochloride?
The IUPAC name of (R)-oxan-4-yl-(4-propan-2-yloxyphenyl)methanamine;hydrochloride (CID 171250022) is (R)-oxan-4-yl-(4-propan-2-yloxyphenyl)methanamine;hydrochloride.
What is the SMILES notation for (R)-oxan-4-yl-(4-propan-2-yloxyphenyl)methanamine;hydrochloride?
The canonical SMILES for (R)-oxan-4-yl-(4-propan-2-yloxyphenyl)methanamine;hydrochloride is CC(C)Oc1ccc([C@H](N)C2CCOCC2)cc1.Cl.
What is the InChIKey of (R)-oxan-4-yl-(4-propan-2-yloxyphenyl)methanamine;hydrochloride?
The InChIKey is PUXKGZZENFIUAY-RSAXXLAASA-N. The full InChI is InChI=1S/C15H23NO2.ClH/c1-11(2)18-14-5-3-12(4-6-14)15(16)13-7-9-17-10-8-13;/h3-6,11,13,15H,7-10,16H2,1-2H3;1H/t15-;/m0./s1.
What are the key properties of (R)-oxan-4-yl-(4-propan-2-yloxyphenyl)methanamine;hydrochloride?
(R)-oxan-4-yl-(4-propan-2-yloxyphenyl)methanamine;hydrochloride has a molecular weight of 285.81 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-oxan-4-yl-(4-propan-2-yloxyphenyl)methanamine;hydrochloride is sourced from PubChem (CID 171250022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).