(1R)-1-(3-methoxyphenyl)hexan-1-amine

C13H21NO — CID 94505781

IUPAC(1R)-1-(3-methoxyphenyl)hexan-1-amine
SMILESCCCCC[C@@H](N)c1cccc(OC)c1
InChIInChI=1S/C13H21NO/c1-3-4-5-9-13(14)11-7-6-8-12(10-11)15-2/h6-8,10,13H,3-5,9,14H2,1-2H3/t13-/m1/s1
InChIKeyZUPASUYBPSNLKB-CYBMUJFWSA-N
MW207.32 g/mol
LogP3.28
Rot. Bonds6

About (1R)-1-(3-methoxyphenyl)hexan-1-amine

(1R)-1-(3-methoxyphenyl)hexan-1-amine (PubChem CID 94505781) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (1R)-1-(3-methoxyphenyl)hexan-1-amine.

Molecular Properties

Compound Name(1R)-1-(3-methoxyphenyl)hexan-1-amine
PubChem CID94505781
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(1R)-1-(3-methoxyphenyl)hexan-1-amine
SMILESCCCCC[C@@H](N)c1cccc(OC)c1
InChIInChI=1S/C13H21NO/c1-3-4-5-9-13(14)11-7-6-8-12(10-11)15-2/h6-8,10,13H,3-5,9,14H2,1-2H3/t13-/m1/s1
InChIKeyZUPASUYBPSNLKB-CYBMUJFWSA-N
XLogP3.28
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-(3-methoxyphenyl)hexan-1-amine;hydrochloride
CID 171219723
1-[3-(difluoromethoxy)phenyl]nonan-1-amine
CID 115835822
1-(3-methoxyphenyl)-2-pentylsulfonylethanamine
CID 107758487
1-(3,5-dimethoxyphenyl)decan-1-amine
CID 115831732
1-[3-(trifluoromethoxy)phenyl]nonan-1-amine
CID 115854116
(1R)-1-(3-methoxyphenyl)-4-methylpentan-1-amine;hydrochloride
CID 171200212
N',N'-diethyl-1-(3-methoxyphenyl)propane-1,3-diamine
CID 79087795
1-(3-methoxyphenyl)-N-methyloctan-1-amine
CID 62606041
1-(3-methoxyphenyl)-3-methylhexan-1-amine
CID 62605848
1-(3-propan-2-yloxyphenyl)pentan-1-amine
CID 79016250
1-(3-methoxyphenyl)ethane-1,2-diamine;dihydrochloride
CID 138109115
(1R)-1-(3-propan-2-ylphenyl)hexan-1-amine
CID 171211984

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-methoxyphenyl)hexan-1-amine?
The IUPAC name of (1R)-1-(3-methoxyphenyl)hexan-1-amine (CID 94505781) is (1R)-1-(3-methoxyphenyl)hexan-1-amine.
What is the SMILES notation for (1R)-1-(3-methoxyphenyl)hexan-1-amine?
The canonical SMILES for (1R)-1-(3-methoxyphenyl)hexan-1-amine is CCCCC[C@@H](N)c1cccc(OC)c1.
What is the InChIKey of (1R)-1-(3-methoxyphenyl)hexan-1-amine?
The InChIKey is ZUPASUYBPSNLKB-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H21NO/c1-3-4-5-9-13(14)11-7-6-8-12(10-11)15-2/h6-8,10,13H,3-5,9,14H2,1-2H3/t13-/m1/s1.
What are the key properties of (1R)-1-(3-methoxyphenyl)hexan-1-amine?
(1R)-1-(3-methoxyphenyl)hexan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-methoxyphenyl)hexan-1-amine is sourced from PubChem (CID 94505781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).