N-[(4-fluoro-2-methylphenyl)methyl]-3-methoxycyclobutan-1-amine

C13H18FNO — CID 104587914

IUPACN-[(4-fluoro-2-methylphenyl)methyl]-3-methoxycyclobutan-1-amine
SMILESCOC1CC(NCc2ccc(F)cc2C)C1
InChIInChI=1S/C13H18FNO/c1-9-5-11(14)4-3-10(9)8-15-12-6-13(7-12)16-2/h3-5,12-13,15H,6-8H2,1-2H3
InChIKeyDPDASINENRSYQP-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.40
Rot. Bonds4

About N-[(4-fluoro-2-methylphenyl)methyl]-3-methoxycyclobutan-1-amine

N-[(4-fluoro-2-methylphenyl)methyl]-3-methoxycyclobutan-1-amine (PubChem CID 104587914) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is N-[(4-fluoro-2-methylphenyl)methyl]-3-methoxycyclobutan-1-amine.

Molecular Properties

Compound NameN-[(4-fluoro-2-methylphenyl)methyl]-3-methoxycyclobutan-1-amine
PubChem CID104587914
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC NameN-[(4-fluoro-2-methylphenyl)methyl]-3-methoxycyclobutan-1-amine
SMILESCOC1CC(NCc2ccc(F)cc2C)C1
InChIInChI=1S/C13H18FNO/c1-9-5-11(14)4-3-10(9)8-15-12-6-13(7-12)16-2/h3-5,12-13,15H,6-8H2,1-2H3
InChIKeyDPDASINENRSYQP-UHFFFAOYSA-N
XLogP2.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-(3-methoxycyclobutyl)-2-methylaniline
CID 104870486
1-cyclopropyl-N-[(4-fluoro-2-methylphenyl)methyl]piperidin-4-amine
CID 62136121
N-[(4-fluoro-2-methylphenyl)methyl]-1,1-dioxothiolan-3-amine
CID 62125242
N-[(5-fluoro-2-methylphenyl)methyl]-3-methylcyclobutan-1-amine
CID 115968236
N-[(4-bromo-2-chlorophenyl)methyl]-3-methoxycyclobutan-1-amine
CID 104588029
N-[(4-fluoro-2-methylphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 78916571
3-methoxy-N-[(2,3,4-trimethoxyphenyl)methyl]cyclobutan-1-amine
CID 104588014
N-[(2-chloro-4-fluorophenyl)methyl]-3-methylcyclobutan-1-amine
CID 115732712
2-chloro-N-[(4-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine
CID 114349118
N-[(4-fluoro-2-methylphenyl)methyl]-1-(2-methylprop-2-enyl)piperidin-4-amine
CID 119124259
N-[(2-bromo-4-fluorophenyl)methyl]-3-methylcyclobutan-1-amine
CID 115732711
3-methoxy-N-[(3-methylphenyl)methyl]cyclobutan-1-amine
CID 104587932

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-2-methylphenyl)methyl]-3-methoxycyclobutan-1-amine?
The IUPAC name of N-[(4-fluoro-2-methylphenyl)methyl]-3-methoxycyclobutan-1-amine (CID 104587914) is N-[(4-fluoro-2-methylphenyl)methyl]-3-methoxycyclobutan-1-amine.
What is the SMILES notation for N-[(4-fluoro-2-methylphenyl)methyl]-3-methoxycyclobutan-1-amine?
The canonical SMILES for N-[(4-fluoro-2-methylphenyl)methyl]-3-methoxycyclobutan-1-amine is COC1CC(NCc2ccc(F)cc2C)C1.
What is the InChIKey of N-[(4-fluoro-2-methylphenyl)methyl]-3-methoxycyclobutan-1-amine?
The InChIKey is DPDASINENRSYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-9-5-11(14)4-3-10(9)8-15-12-6-13(7-12)16-2/h3-5,12-13,15H,6-8H2,1-2H3.
What are the key properties of N-[(4-fluoro-2-methylphenyl)methyl]-3-methoxycyclobutan-1-amine?
N-[(4-fluoro-2-methylphenyl)methyl]-3-methoxycyclobutan-1-amine has a molecular weight of 223.29 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-2-methylphenyl)methyl]-3-methoxycyclobutan-1-amine is sourced from PubChem (CID 104587914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).