1-[2-(cyclopropylmethoxy)-5-fluoro-3-methylphenyl]butan-2-amine;hydrochloride

C15H23ClFNO — CID 170890282

IUPAC1-[2-(cyclopropylmethoxy)-5-fluoro-3-methylphenyl]butan-2-amine;hydrochloride
SMILESCCC(N)Cc1cc(F)cc(C)c1OCC1CC1.Cl
InChIInChI=1S/C15H22FNO.ClH/c1-3-14(17)8-12-7-13(16)6-10(2)15(12)18-9-11-4-5-11;/h6-7,11,14H,3-5,8-9,17H2,1-2H3;1H
InChIKeyJECXASQCRFNBCJ-UHFFFAOYSA-N
MW287.81 g/mol
LogP3.62
Rot. Bonds6

About 1-[2-(cyclopropylmethoxy)-5-fluoro-3-methylphenyl]butan-2-amine;hydrochloride

1-[2-(cyclopropylmethoxy)-5-fluoro-3-methylphenyl]butan-2-amine;hydrochloride (PubChem CID 170890282) has the molecular formula C15H23ClFNO and a molecular weight of 287.81 g/mol. Its IUPAC name is 1-[2-(cyclopropylmethoxy)-5-fluoro-3-methylphenyl]butan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-[2-(cyclopropylmethoxy)-5-fluoro-3-methylphenyl]butan-2-amine;hydrochloride
PubChem CID170890282
Molecular FormulaC15H23ClFNO
Molecular Weight287.81 g/mol
Exact Mass287.15
IUPAC Name1-[2-(cyclopropylmethoxy)-5-fluoro-3-methylphenyl]butan-2-amine;hydrochloride
SMILESCCC(N)Cc1cc(F)cc(C)c1OCC1CC1.Cl
InChIInChI=1S/C15H22FNO.ClH/c1-3-14(17)8-12-7-13(16)6-10(2)15(12)18-9-11-4-5-11;/h6-7,11,14H,3-5,8-9,17H2,1-2H3;1H
InChIKeyJECXASQCRFNBCJ-UHFFFAOYSA-N
XLogP3.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.81
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-chloro-2-(cyclopropylmethoxy)-5-fluorophenyl]butan-2-amine;hydrochloride
CID 170889987
1-[5-bromo-2-(cyclopropylmethoxy)-3-methylphenyl]butan-2-amine
CID 112621766
1-(2-ethoxy-5-fluoro-3-methylphenyl)butan-2-amine
CID 170890449
1-[4-(cyclopropylmethoxy)-2-methylphenyl]butan-2-amine;hydrochloride
CID 170890309
1-[5-bromo-3-methyl-2-(oxan-4-ylmethoxy)phenyl]butan-2-amine
CID 115962930
1-[2-(cyclopropylmethoxy)-5-fluoro-4-methylphenyl]butan-2-amine
CID 170890285
1-[5-chloro-2-(cyclopropylmethoxy)-3-methoxyphenyl]butan-2-amine
CID 104667102
1-[4-(cyclopropylmethoxy)-2,6-dimethylphenyl]butan-2-amine
CID 170890252
1-[4-tert-butyl-5-(cyclopropylmethoxy)-2-methylphenyl]butan-2-amine;hydrochloride
CID 170889912
1-[3-chloro-4-(cyclopropylmethoxy)-5,6,7,8-tetrahydronaphthalen-1-yl]butan-2-amine;hydrochloride
CID 170890029
1-[4-(cyclopropylmethoxy)-2,3-dimethylphenyl]butan-2-amine;hydrochloride
CID 170890247
1-[2-(cyclopropylmethoxy)-5-fluoro-3-methylphenyl]ethane-1,2-diamine
CID 66517845

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopropylmethoxy)-5-fluoro-3-methylphenyl]butan-2-amine;hydrochloride?
The IUPAC name of 1-[2-(cyclopropylmethoxy)-5-fluoro-3-methylphenyl]butan-2-amine;hydrochloride (CID 170890282) is 1-[2-(cyclopropylmethoxy)-5-fluoro-3-methylphenyl]butan-2-amine;hydrochloride.
What is the SMILES notation for 1-[2-(cyclopropylmethoxy)-5-fluoro-3-methylphenyl]butan-2-amine;hydrochloride?
The canonical SMILES for 1-[2-(cyclopropylmethoxy)-5-fluoro-3-methylphenyl]butan-2-amine;hydrochloride is CCC(N)Cc1cc(F)cc(C)c1OCC1CC1.Cl.
What is the InChIKey of 1-[2-(cyclopropylmethoxy)-5-fluoro-3-methylphenyl]butan-2-amine;hydrochloride?
The InChIKey is JECXASQCRFNBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO.ClH/c1-3-14(17)8-12-7-13(16)6-10(2)15(12)18-9-11-4-5-11;/h6-7,11,14H,3-5,8-9,17H2,1-2H3;1H.
What are the key properties of 1-[2-(cyclopropylmethoxy)-5-fluoro-3-methylphenyl]butan-2-amine;hydrochloride?
1-[2-(cyclopropylmethoxy)-5-fluoro-3-methylphenyl]butan-2-amine;hydrochloride has a molecular weight of 287.81 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopropylmethoxy)-5-fluoro-3-methylphenyl]butan-2-amine;hydrochloride is sourced from PubChem (CID 170890282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).