1-[2-(cyclopropylmethoxy)-5-fluoro-4-methylphenyl]butan-2-amine

C15H22FNO — CID 170890285

IUPAC1-[2-(cyclopropylmethoxy)-5-fluoro-4-methylphenyl]butan-2-amine
SMILESCCC(N)Cc1cc(F)c(C)cc1OCC1CC1
InChIInChI=1S/C15H22FNO/c1-3-13(17)7-12-8-14(16)10(2)6-15(12)18-9-11-4-5-11/h6,8,11,13H,3-5,7,9,17H2,1-2H3
InChIKeyXTUULMGPYRYFNC-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.20
Rot. Bonds6

About 1-[2-(cyclopropylmethoxy)-5-fluoro-4-methylphenyl]butan-2-amine

1-[2-(cyclopropylmethoxy)-5-fluoro-4-methylphenyl]butan-2-amine (PubChem CID 170890285) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 1-[2-(cyclopropylmethoxy)-5-fluoro-4-methylphenyl]butan-2-amine.

Molecular Properties

Compound Name1-[2-(cyclopropylmethoxy)-5-fluoro-4-methylphenyl]butan-2-amine
PubChem CID170890285
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name1-[2-(cyclopropylmethoxy)-5-fluoro-4-methylphenyl]butan-2-amine
SMILESCCC(N)Cc1cc(F)c(C)cc1OCC1CC1
InChIInChI=1S/C15H22FNO/c1-3-13(17)7-12-8-14(16)10(2)6-15(12)18-9-11-4-5-11/h6,8,11,13H,3-5,7,9,17H2,1-2H3
InChIKeyXTUULMGPYRYFNC-UHFFFAOYSA-N
XLogP3.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-chloro-4-(cyclopropylmethoxy)-2-methylphenyl]butan-2-amine;hydrochloride
CID 170890013
1-[2-(cyclopropylmethoxy)-5-fluoro-3-methylphenyl]butan-2-amine;hydrochloride
CID 170890282
1-[2-(cyclopropylmethoxy)-4,5-difluorophenyl]propan-2-amine;hydrochloride
CID 170894074
1-(2-ethoxy-4,5-dimethylphenyl)butan-2-amine
CID 170890416
1-[4-tert-butyl-5-(cyclopropylmethoxy)-2-methylphenyl]butan-2-amine;hydrochloride
CID 170889912
1-[4-(cyclopropylmethoxy)-2,3-dimethylphenyl]butan-2-amine;hydrochloride
CID 170890247
1-[4-(cyclopropylmethoxy)-2-methylphenyl]butan-2-amine;hydrochloride
CID 170890309
1-[5-butan-2-yl-2-(cyclopropylmethoxy)phenyl]butan-2-amine;hydrochloride
CID 170889904
1-[5-bromo-2-(cyclopropylmethoxy)-3-methylphenyl]butan-2-amine
CID 112621766
1-[4-(cyclopropylmethoxy)-2,6-dimethylphenyl]butan-2-amine
CID 170890252
1-(4,5-difluoro-2-propoxyphenyl)butan-2-amine
CID 170890380
1-[3-chloro-2-(cyclopropylmethoxy)-5-fluorophenyl]butan-2-amine;hydrochloride
CID 170889987

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopropylmethoxy)-5-fluoro-4-methylphenyl]butan-2-amine?
The IUPAC name of 1-[2-(cyclopropylmethoxy)-5-fluoro-4-methylphenyl]butan-2-amine (CID 170890285) is 1-[2-(cyclopropylmethoxy)-5-fluoro-4-methylphenyl]butan-2-amine.
What is the SMILES notation for 1-[2-(cyclopropylmethoxy)-5-fluoro-4-methylphenyl]butan-2-amine?
The canonical SMILES for 1-[2-(cyclopropylmethoxy)-5-fluoro-4-methylphenyl]butan-2-amine is CCC(N)Cc1cc(F)c(C)cc1OCC1CC1.
What is the InChIKey of 1-[2-(cyclopropylmethoxy)-5-fluoro-4-methylphenyl]butan-2-amine?
The InChIKey is XTUULMGPYRYFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-3-13(17)7-12-8-14(16)10(2)6-15(12)18-9-11-4-5-11/h6,8,11,13H,3-5,7,9,17H2,1-2H3.
What are the key properties of 1-[2-(cyclopropylmethoxy)-5-fluoro-4-methylphenyl]butan-2-amine?
1-[2-(cyclopropylmethoxy)-5-fluoro-4-methylphenyl]butan-2-amine has a molecular weight of 251.34 g/mol, XLogP of 3.20, 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-4-methylphenyl]butan-2-amine is sourced from PubChem (CID 170890285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).