(1R)-1-(2-methoxy-5-propan-2-ylphenyl)hexan-1-amine

C16H27NO — CID 171216454

IUPAC(1R)-1-(2-methoxy-5-propan-2-ylphenyl)hexan-1-amine
SMILESCCCCC[C@@H](N)c1cc(C(C)C)ccc1OC
InChIInChI=1S/C16H27NO/c1-5-6-7-8-15(17)14-11-13(12(2)3)9-10-16(14)18-4/h9-12,15H,5-8,17H2,1-4H3/t15-/m1/s1
InChIKeyQYIIWGRRJGJPGX-OAHLLOKOSA-N
MW249.40 g/mol
LogP4.40
Rot. Bonds7

About (1R)-1-(2-methoxy-5-propan-2-ylphenyl)hexan-1-amine

(1R)-1-(2-methoxy-5-propan-2-ylphenyl)hexan-1-amine (PubChem CID 171216454) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is (1R)-1-(2-methoxy-5-propan-2-ylphenyl)hexan-1-amine.

Molecular Properties

Compound Name(1R)-1-(2-methoxy-5-propan-2-ylphenyl)hexan-1-amine
PubChem CID171216454
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name(1R)-1-(2-methoxy-5-propan-2-ylphenyl)hexan-1-amine
SMILESCCCCC[C@@H](N)c1cc(C(C)C)ccc1OC
InChIInChI=1S/C16H27NO/c1-5-6-7-8-15(17)14-11-13(12(2)3)9-10-16(14)18-4/h9-12,15H,5-8,17H2,1-4H3/t15-/m1/s1
InChIKeyQYIIWGRRJGJPGX-OAHLLOKOSA-N
XLogP4.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R)-1-(2-methoxy-5-propan-2-ylphenyl)hexan-1-amine 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

(1S)-1-(2-methoxy-5-propan-2-ylphenyl)butan-1-amine;hydrochloride
CID 171236084
(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-4-methylpentan-1-amine
CID 171216479
1-(2-methoxy-5-methylphenyl)decan-1-amine
CID 65449338
1-(2-methoxy-5-methylphenyl)undecan-1-amine
CID 115845828
1-[2,4-di(propan-2-yl)phenyl]hexan-1-amine
CID 43125390
1-(2-methoxy-5-propan-2-ylphenyl)-3-methylsulfanylpropan-1-amine
CID 116831508
4-amino-4-(2-methoxy-5-propan-2-ylphenyl)butanoic acid
CID 112511871
(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171216456
1-(2-methoxy-5-propan-2-ylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 116935024
(1S)-1-(2,5-dimethoxyphenyl)pentan-1-amine;hydrochloride
CID 171219764
(1R)-1-(4-methoxynaphthalen-1-yl)hexan-1-amine;hydrochloride
CID 171213235
(1S)-1-(2,3,4-trimethoxyphenyl)hexan-1-amine;hydrochloride
CID 171219374

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-methoxy-5-propan-2-ylphenyl)hexan-1-amine?
The IUPAC name of (1R)-1-(2-methoxy-5-propan-2-ylphenyl)hexan-1-amine (CID 171216454) is (1R)-1-(2-methoxy-5-propan-2-ylphenyl)hexan-1-amine.
What is the SMILES notation for (1R)-1-(2-methoxy-5-propan-2-ylphenyl)hexan-1-amine?
The canonical SMILES for (1R)-1-(2-methoxy-5-propan-2-ylphenyl)hexan-1-amine is CCCCC[C@@H](N)c1cc(C(C)C)ccc1OC.
What is the InChIKey of (1R)-1-(2-methoxy-5-propan-2-ylphenyl)hexan-1-amine?
The InChIKey is QYIIWGRRJGJPGX-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H27NO/c1-5-6-7-8-15(17)14-11-13(12(2)3)9-10-16(14)18-4/h9-12,15H,5-8,17H2,1-4H3/t15-/m1/s1.
What are the key properties of (1R)-1-(2-methoxy-5-propan-2-ylphenyl)hexan-1-amine?
(1R)-1-(2-methoxy-5-propan-2-ylphenyl)hexan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-methoxy-5-propan-2-ylphenyl)hexan-1-amine is sourced from PubChem (CID 171216454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).