N-[(2,3-difluorophenyl)-(1-methoxycyclobutyl)methyl]propan-1-amine

C15H21F2NO — CID 116714897

IUPACN-[(2,3-difluorophenyl)-(1-methoxycyclobutyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(F)c1F)C1(OC)CCC1
InChIInChI=1S/C15H21F2NO/c1-3-10-18-14(15(19-2)8-5-9-15)11-6-4-7-12(16)13(11)17/h4,6-7,14,18H,3,5,8-10H2,1-2H3
InChIKeyYWGGRHACUXCICI-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.57
Rot. Bonds6

About N-[(2,3-difluorophenyl)-(1-methoxycyclobutyl)methyl]propan-1-amine

N-[(2,3-difluorophenyl)-(1-methoxycyclobutyl)methyl]propan-1-amine (PubChem CID 116714897) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is N-[(2,3-difluorophenyl)-(1-methoxycyclobutyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,3-difluorophenyl)-(1-methoxycyclobutyl)methyl]propan-1-amine
PubChem CID116714897
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC NameN-[(2,3-difluorophenyl)-(1-methoxycyclobutyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(F)c1F)C1(OC)CCC1
InChIInChI=1S/C15H21F2NO/c1-3-10-18-14(15(19-2)8-5-9-15)11-6-4-7-12(16)13(11)17/h4,6-7,14,18H,3,5,8-10H2,1-2H3
InChIKeyYWGGRHACUXCICI-UHFFFAOYSA-N
XLogP3.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,3-difluorophenyl)-(4-methoxyoxan-4-yl)methyl]ethanamine
CID 116765066
[(2,3-difluorophenyl)-(1-methoxycycloheptyl)methyl]hydrazine
CID 105278208
N-[(2-chlorophenyl)-(1-methoxycyclohexyl)methyl]propan-1-amine
CID 116763409
N-[(2-ethoxyphenyl)-(1-methoxycyclopentyl)methyl]propan-1-amine
CID 104611341
N-[(1-methoxycyclohexyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 116763285
N-[bis(2,3-difluorophenyl)methyl]propan-1-amine
CID 115862083
N-[(1-methoxycyclobutyl)-(4-methoxyphenyl)methyl]propan-1-amine
CID 116714736
N-[(2-chloro-6-fluorophenyl)-(1-methoxycyclobutyl)methyl]ethanamine
CID 114275214
N-[(3,5-difluorophenyl)-(1-methoxycyclohexyl)methyl]propan-1-amine
CID 116763465
N-[(2-fluorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]ethanamine
CID 116769648
N-[(1-methoxycyclohexyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 116763483
N-[(1-ethoxycyclohexyl)-(2-methylphenyl)methyl]propan-1-amine
CID 116764251

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-difluorophenyl)-(1-methoxycyclobutyl)methyl]propan-1-amine?
The IUPAC name of N-[(2,3-difluorophenyl)-(1-methoxycyclobutyl)methyl]propan-1-amine (CID 116714897) is N-[(2,3-difluorophenyl)-(1-methoxycyclobutyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,3-difluorophenyl)-(1-methoxycyclobutyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,3-difluorophenyl)-(1-methoxycyclobutyl)methyl]propan-1-amine is CCCNC(c1cccc(F)c1F)C1(OC)CCC1.
What is the InChIKey of N-[(2,3-difluorophenyl)-(1-methoxycyclobutyl)methyl]propan-1-amine?
The InChIKey is YWGGRHACUXCICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-3-10-18-14(15(19-2)8-5-9-15)11-6-4-7-12(16)13(11)17/h4,6-7,14,18H,3,5,8-10H2,1-2H3.
What are the key properties of N-[(2,3-difluorophenyl)-(1-methoxycyclobutyl)methyl]propan-1-amine?
N-[(2,3-difluorophenyl)-(1-methoxycyclobutyl)methyl]propan-1-amine has a molecular weight of 269.33 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-difluorophenyl)-(1-methoxycyclobutyl)methyl]propan-1-amine is sourced from PubChem (CID 116714897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).