(1R)-1-(4-methoxynaphthalen-1-yl)hexan-1-amine;hydrochloride

C17H24ClNO — CID 171213235

IUPAC(1R)-1-(4-methoxynaphthalen-1-yl)hexan-1-amine;hydrochloride
SMILESCCCCC[C@@H](N)c1ccc(OC)c2ccccc12.Cl
InChIInChI=1S/C17H23NO.ClH/c1-3-4-5-10-16(18)14-11-12-17(19-2)15-9-7-6-8-13(14)15;/h6-9,11-12,16H,3-5,10,18H2,1-2H3;1H/t16-;/m1./s1
InChIKeyXXEOJQSVUPGXFR-PKLMIRHRSA-N
MW293.84 g/mol
LogP4.85
Rot. Bonds6

About (1R)-1-(4-methoxynaphthalen-1-yl)hexan-1-amine;hydrochloride

(1R)-1-(4-methoxynaphthalen-1-yl)hexan-1-amine;hydrochloride (PubChem CID 171213235) has the molecular formula C17H24ClNO and a molecular weight of 293.84 g/mol. Its IUPAC name is (1R)-1-(4-methoxynaphthalen-1-yl)hexan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(4-methoxynaphthalen-1-yl)hexan-1-amine;hydrochloride
PubChem CID171213235
Molecular FormulaC17H24ClNO
Molecular Weight293.84 g/mol
Exact Mass293.15
IUPAC Name(1R)-1-(4-methoxynaphthalen-1-yl)hexan-1-amine;hydrochloride
SMILESCCCCC[C@@H](N)c1ccc(OC)c2ccccc12.Cl
InChIInChI=1S/C17H23NO.ClH/c1-3-4-5-10-16(18)14-11-12-17(19-2)15-9-7-6-8-13(14)15;/h6-9,11-12,16H,3-5,10,18H2,1-2H3;1H/t16-;/m1./s1
InChIKeyXXEOJQSVUPGXFR-PKLMIRHRSA-N
XLogP4.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 54.85
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-(2,3,4-trimethoxyphenyl)hexan-1-amine;hydrochloride
CID 171219374
1-(4-methoxynaphthalen-1-yl)octan-1-ol
CID 63426458
(1R)-1-(4-methylnaphthalen-1-yl)hexan-1-amine;hydrochloride
CID 171208944
(1S)-1-(4-methylnaphthalen-1-yl)hexan-1-amine
CID 171228529
(1R)-1-(4-methoxynaphthalen-1-yl)-3-methylbutan-1-amine;hydrochloride
CID 171213236
(1R)-1-(2-methoxy-5-propan-2-ylphenyl)hexan-1-amine
CID 171216454
ethyl 3-amino-3-(4-methoxynaphthalen-1-yl)propanoate;hydrochloride
CID 2945823
(1S)-1-quinolin-4-ylhexan-1-amine;hydrochloride
CID 171236625
(1R)-1-naphthalen-1-ylhexan-1-amine
CID 171212033
1-(2-methoxy-4-methylphenyl)undecan-1-amine
CID 106791391
1-(2-methoxy-5-methylphenyl)decan-1-amine
CID 65449338
(1S)-1-(4-methoxynaphthalen-1-yl)but-3-en-1-amine
CID 171232852

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-methoxynaphthalen-1-yl)hexan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(4-methoxynaphthalen-1-yl)hexan-1-amine;hydrochloride (CID 171213235) is (1R)-1-(4-methoxynaphthalen-1-yl)hexan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(4-methoxynaphthalen-1-yl)hexan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(4-methoxynaphthalen-1-yl)hexan-1-amine;hydrochloride is CCCCC[C@@H](N)c1ccc(OC)c2ccccc12.Cl.
What is the InChIKey of (1R)-1-(4-methoxynaphthalen-1-yl)hexan-1-amine;hydrochloride?
The InChIKey is XXEOJQSVUPGXFR-PKLMIRHRSA-N. The full InChI is InChI=1S/C17H23NO.ClH/c1-3-4-5-10-16(18)14-11-12-17(19-2)15-9-7-6-8-13(14)15;/h6-9,11-12,16H,3-5,10,18H2,1-2H3;1H/t16-;/m1./s1.
What are the key properties of (1R)-1-(4-methoxynaphthalen-1-yl)hexan-1-amine;hydrochloride?
(1R)-1-(4-methoxynaphthalen-1-yl)hexan-1-amine;hydrochloride has a molecular weight of 293.84 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-methoxynaphthalen-1-yl)hexan-1-amine;hydrochloride is sourced from PubChem (CID 171213235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).