N-[1-(4-fluoro-3-methylphenyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine

C17H26FNO — CID 103556420

IUPACN-[1-(4-fluoro-3-methylphenyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine
SMILESCCCNC(CC1(OC)CCC1)c1ccc(F)c(C)c1
InChIInChI=1S/C17H26FNO/c1-4-10-19-16(12-17(20-3)8-5-9-17)14-6-7-15(18)13(2)11-14/h6-7,11,16,19H,4-5,8-10,12H2,1-3H3
InChIKeyYBXYTPIJSLZKOC-UHFFFAOYSA-N
MW279.40 g/mol
LogP4.13
Rot. Bonds7

About N-[1-(4-fluoro-3-methylphenyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine

N-[1-(4-fluoro-3-methylphenyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine (PubChem CID 103556420) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is N-[1-(4-fluoro-3-methylphenyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-fluoro-3-methylphenyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine
PubChem CID103556420
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC NameN-[1-(4-fluoro-3-methylphenyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine
SMILESCCCNC(CC1(OC)CCC1)c1ccc(F)c(C)c1
InChIInChI=1S/C17H26FNO/c1-4-10-19-16(12-17(20-3)8-5-9-17)14-6-7-15(18)13(2)11-14/h6-7,11,16,19H,4-5,8-10,12H2,1-3H3
InChIKeyYBXYTPIJSLZKOC-UHFFFAOYSA-N
XLogP4.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-chloro-4-methylphenyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 107561577
N-[2-(1-methoxycyclobutyl)-1-(3-methylphenyl)ethyl]propan-1-amine
CID 103559035
4-[1-chloro-2-(1-methoxycyclobutyl)ethyl]-1-fluoro-2-methylbenzene
CID 103557830
N-[1-(3-ethylphenyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 103559669
N-[1-(furan-3-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 103559312
N-ethyl-1-(3-fluoro-4-methoxyphenyl)-2-(1-methoxycyclobutyl)ethanamine
CID 103556253
N-[1-(4-bromo-2,5-difluorophenyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 103556382
1-(4-fluoro-3-methylphenyl)-3-methoxy-N-propylbutan-1-amine
CID 113391484
N-[1-(2,3-dimethylphenyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 103559256
1-(4-fluoro-3-methylphenyl)-4-methyl-N-propylpentan-1-amine
CID 63413988
4,4,4-trifluoro-1-(4-fluoro-3-methylphenyl)-N-propylbutan-1-amine
CID 64565153
1-(4-fluoro-3-methylphenyl)-3,3-dimethyl-N-propylbutan-1-amine
CID 63890244

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluoro-3-methylphenyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(4-fluoro-3-methylphenyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine (CID 103556420) is N-[1-(4-fluoro-3-methylphenyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4-fluoro-3-methylphenyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(4-fluoro-3-methylphenyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine is CCCNC(CC1(OC)CCC1)c1ccc(F)c(C)c1.
What is the InChIKey of N-[1-(4-fluoro-3-methylphenyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine?
The InChIKey is YBXYTPIJSLZKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-4-10-19-16(12-17(20-3)8-5-9-17)14-6-7-15(18)13(2)11-14/h6-7,11,16,19H,4-5,8-10,12H2,1-3H3.
What are the key properties of N-[1-(4-fluoro-3-methylphenyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine?
N-[1-(4-fluoro-3-methylphenyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine has a molecular weight of 279.40 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluoro-3-methylphenyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine is sourced from PubChem (CID 103556420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).