(S)-cyclopropyl-(4-fluoro-2-methoxyphenyl)methanamine;hydrochloride

C11H15ClFNO — CID 171224902

IUPAC(S)-cyclopropyl-(4-fluoro-2-methoxyphenyl)methanamine;hydrochloride
SMILESCOc1cc(F)ccc1[C@@H](N)C1CC1.Cl
InChIInChI=1S/C11H14FNO.ClH/c1-14-10-6-8(12)4-5-9(10)11(13)7-2-3-7;/h4-7,11H,2-3,13H2,1H3;1H/t11-;/m0./s1
InChIKeyUIGAIUHMMGAAMG-MERQFXBCSA-N
MW231.70 g/mol
LogP2.67
Rot. Bonds3

About (S)-cyclopropyl-(4-fluoro-2-methoxyphenyl)methanamine;hydrochloride

(S)-cyclopropyl-(4-fluoro-2-methoxyphenyl)methanamine;hydrochloride (PubChem CID 171224902) has the molecular formula C11H15ClFNO and a molecular weight of 231.70 g/mol. Its IUPAC name is (S)-cyclopropyl-(4-fluoro-2-methoxyphenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(S)-cyclopropyl-(4-fluoro-2-methoxyphenyl)methanamine;hydrochloride
PubChem CID171224902
Molecular FormulaC11H15ClFNO
Molecular Weight231.70 g/mol
Exact Mass231.08
IUPAC Name(S)-cyclopropyl-(4-fluoro-2-methoxyphenyl)methanamine;hydrochloride
SMILESCOc1cc(F)ccc1[C@@H](N)C1CC1.Cl
InChIInChI=1S/C11H14FNO.ClH/c1-14-10-6-8(12)4-5-9(10)11(13)7-2-3-7;/h4-7,11H,2-3,13H2,1H3;1H/t11-;/m0./s1
InChIKeyUIGAIUHMMGAAMG-MERQFXBCSA-N
XLogP2.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-fluoro-2-methoxyphenyl)-piperidin-4-ylmethanamine
CID 70196823
(R)-cyclopropyl-(2-methoxyphenyl)methanamine
CID 45072420
(R)-cyclohexyl-(5-fluoro-2-methoxyphenyl)methanamine
CID 93023442
(1R,2S)-2-amino-1-cyclopentyl-2-(4-fluoro-2-methoxyphenyl)ethanol
CID 171270206
(1S,2R)-2-amino-1-cyclobutyl-2-(4-fluoro-2-methoxyphenyl)ethanol
CID 171264528
4-[(R)-amino(cyclopentyl)methyl]-3-methoxyphenol;hydrochloride
CID 171200758
4-[amino-(5-fluoro-2-methoxyphenyl)methyl]cyclohexan-1-one
CID 116941932
(R)-cyclopentyl-(2-methoxyphenyl)methanamine;hydrochloride
CID 171200457
(2-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methanamine
CID 65423601
4-[(S)-amino(cyclohexyl)methyl]-3-methoxyphenol;hydrochloride
CID 171220298
(1R)-1-(4-fluoro-2-methoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171224876
cyclopropyl-(2,5-difluoro-4-methoxyphenyl)methanamine
CID 130024487

Frequently Asked Questions

What is the IUPAC name of (S)-cyclopropyl-(4-fluoro-2-methoxyphenyl)methanamine;hydrochloride?
The IUPAC name of (S)-cyclopropyl-(4-fluoro-2-methoxyphenyl)methanamine;hydrochloride (CID 171224902) is (S)-cyclopropyl-(4-fluoro-2-methoxyphenyl)methanamine;hydrochloride.
What is the SMILES notation for (S)-cyclopropyl-(4-fluoro-2-methoxyphenyl)methanamine;hydrochloride?
The canonical SMILES for (S)-cyclopropyl-(4-fluoro-2-methoxyphenyl)methanamine;hydrochloride is COc1cc(F)ccc1[C@@H](N)C1CC1.Cl.
What is the InChIKey of (S)-cyclopropyl-(4-fluoro-2-methoxyphenyl)methanamine;hydrochloride?
The InChIKey is UIGAIUHMMGAAMG-MERQFXBCSA-N. The full InChI is InChI=1S/C11H14FNO.ClH/c1-14-10-6-8(12)4-5-9(10)11(13)7-2-3-7;/h4-7,11H,2-3,13H2,1H3;1H/t11-;/m0./s1.
What are the key properties of (S)-cyclopropyl-(4-fluoro-2-methoxyphenyl)methanamine;hydrochloride?
(S)-cyclopropyl-(4-fluoro-2-methoxyphenyl)methanamine;hydrochloride has a molecular weight of 231.70 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-cyclopropyl-(4-fluoro-2-methoxyphenyl)methanamine;hydrochloride is sourced from PubChem (CID 171224902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).