(1R)-1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-1-amine;hydrochloride

C13H21ClFNO — CID 171201487

IUPAC(1R)-1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-1-amine;hydrochloride
SMILESCOc1ccc([C@H](N)CCC(C)C)cc1F.Cl
InChIInChI=1S/C13H20FNO.ClH/c1-9(2)4-6-12(15)10-5-7-13(16-3)11(14)8-10;/h5,7-9,12H,4,6,15H2,1-3H3;1H/t12-;/m1./s1
InChIKeyIYVKLZYZEGQKOX-UTONKHPSSA-N
MW261.77 g/mol
LogP3.69
Rot. Bonds5

About (1R)-1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-1-amine;hydrochloride

(1R)-1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-1-amine;hydrochloride (PubChem CID 171201487) has the molecular formula C13H21ClFNO and a molecular weight of 261.77 g/mol. Its IUPAC name is (1R)-1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-1-amine;hydrochloride
PubChem CID171201487
Molecular FormulaC13H21ClFNO
Molecular Weight261.77 g/mol
Exact Mass261.13
IUPAC Name(1R)-1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-1-amine;hydrochloride
SMILESCOc1ccc([C@H](N)CCC(C)C)cc1F.Cl
InChIInChI=1S/C13H20FNO.ClH/c1-9(2)4-6-12(15)10-5-7-13(16-3)11(14)8-10;/h5,7-9,12H,4,6,15H2,1-3H3;1H/t12-;/m1./s1
InChIKeyIYVKLZYZEGQKOX-UTONKHPSSA-N
XLogP3.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.77
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-3-fluoro-1-(3-fluoro-4-methoxyphenyl)propan-1-amine;hydrochloride
CID 171221010
(1R)-2-fluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine;hydrochloride
CID 171220989
1-(3-fluoro-4-methoxyphenyl)hexan-1-amine
CID 43474211
4-amino-4-(3-fluoro-4-methoxyphenyl)butan-1-ol
CID 116861391
1-(3,4-difluorophenyl)-4-methylpentan-1-amine
CID 43210140
(1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7047663
(1S)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7016603
1-(3-fluoro-4-methoxyphenyl)-3-methylhexan-1-amine
CID 115845654
1-(3-fluoro-4-methoxyphenyl)-2-pentan-2-yloxyethanamine
CID 107524072
(1R)-1-(3-ethoxy-4-methoxyphenyl)-4-methylpentan-1-amine
CID 171210846
6-amino-6-(3-fluoro-4-methoxyphenyl)hexanamide
CID 60860844
4-ethylsulfonyl-1-(3-fluoro-4-methoxyphenyl)butan-1-amine
CID 104986185

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-1-amine;hydrochloride (CID 171201487) is (1R)-1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-1-amine;hydrochloride is COc1ccc([C@H](N)CCC(C)C)cc1F.Cl.
What is the InChIKey of (1R)-1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-1-amine;hydrochloride?
The InChIKey is IYVKLZYZEGQKOX-UTONKHPSSA-N. The full InChI is InChI=1S/C13H20FNO.ClH/c1-9(2)4-6-12(15)10-5-7-13(16-3)11(14)8-10;/h5,7-9,12H,4,6,15H2,1-3H3;1H/t12-;/m1./s1.
What are the key properties of (1R)-1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-1-amine;hydrochloride?
(1R)-1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-1-amine;hydrochloride has a molecular weight of 261.77 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-1-amine;hydrochloride is sourced from PubChem (CID 171201487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).