(3-fluoro-4-methoxyphenyl)-(1-methoxycyclobutyl)methanamine

C13H18FNO2 — CID 116713947

IUPAC(3-fluoro-4-methoxyphenyl)-(1-methoxycyclobutyl)methanamine
SMILESCOc1ccc(C(N)C2(OC)CCC2)cc1F
InChIInChI=1S/C13H18FNO2/c1-16-11-5-4-9(8-10(11)14)12(15)13(17-2)6-3-7-13/h4-5,8,12H,3,6-7,15H2,1-2H3
InChIKeyOOATVPFGGCOFRU-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.40
Rot. Bonds4

About (3-fluoro-4-methoxyphenyl)-(1-methoxycyclobutyl)methanamine

(3-fluoro-4-methoxyphenyl)-(1-methoxycyclobutyl)methanamine (PubChem CID 116713947) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)-(1-methoxycyclobutyl)methanamine.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)-(1-methoxycyclobutyl)methanamine
PubChem CID116713947
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name(3-fluoro-4-methoxyphenyl)-(1-methoxycyclobutyl)methanamine
SMILESCOc1ccc(C(N)C2(OC)CCC2)cc1F
InChIInChI=1S/C13H18FNO2/c1-16-11-5-4-9(8-10(11)14)12(15)13(17-2)6-3-7-13/h4-5,8,12H,3,6-7,15H2,1-2H3
InChIKeyOOATVPFGGCOFRU-UHFFFAOYSA-N
XLogP2.40
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-fluoro-4-methylphenyl)-(1-methoxycyclobutyl)methanamine
CID 107129160
[1-(aminomethyl)cyclobutyl]-(3-fluoro-4-methoxyphenyl)methanamine
CID 116943800
[1-[amino-(3-fluoro-4-methoxyphenyl)methyl]cyclopropyl]methanol
CID 116943189
1-[amino-(3-fluoro-4-methoxyphenyl)methyl]-N,N-diethylcyclopentan-1-amine
CID 79059390
(1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7047663
(1S)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7016603
(3,5-dimethoxyphenyl)-(1-methoxycyclopentyl)methanamine
CID 104610743
(1R)-2-fluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine;hydrochloride
CID 171220989
(3-fluoro-5-methylphenyl)-(1-methoxycyclobutyl)methanamine
CID 116714117
(1R)-2,2-difluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 97052813
(1-methoxycyclobutyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 116714051
1-(1-ethoxycyclohexyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 116763851

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)-(1-methoxycyclobutyl)methanamine?
The IUPAC name of (3-fluoro-4-methoxyphenyl)-(1-methoxycyclobutyl)methanamine (CID 116713947) is (3-fluoro-4-methoxyphenyl)-(1-methoxycyclobutyl)methanamine.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)-(1-methoxycyclobutyl)methanamine?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)-(1-methoxycyclobutyl)methanamine is COc1ccc(C(N)C2(OC)CCC2)cc1F.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)-(1-methoxycyclobutyl)methanamine?
The InChIKey is OOATVPFGGCOFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-16-11-5-4-9(8-10(11)14)12(15)13(17-2)6-3-7-13/h4-5,8,12H,3,6-7,15H2,1-2H3.
What are the key properties of (3-fluoro-4-methoxyphenyl)-(1-methoxycyclobutyl)methanamine?
(3-fluoro-4-methoxyphenyl)-(1-methoxycyclobutyl)methanamine has a molecular weight of 239.29 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)-(1-methoxycyclobutyl)methanamine is sourced from PubChem (CID 116713947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).