N-[1-(3,5-difluorophenyl)ethyl]-3-methoxycyclobutan-1-amine

C13H17F2NO — CID 113429569

IUPACN-[1-(3,5-difluorophenyl)ethyl]-3-methoxycyclobutan-1-amine
SMILESCOC1CC(NC(C)c2cc(F)cc(F)c2)C1
InChIInChI=1S/C13H17F2NO/c1-8(16-12-6-13(7-12)17-2)9-3-10(14)5-11(15)4-9/h3-5,8,12-13,16H,6-7H2,1-2H3
InChIKeyHMPFKPWZQRFONL-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.79
Rot. Bonds4

About N-[1-(3,5-difluorophenyl)ethyl]-3-methoxycyclobutan-1-amine

N-[1-(3,5-difluorophenyl)ethyl]-3-methoxycyclobutan-1-amine (PubChem CID 113429569) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is N-[1-(3,5-difluorophenyl)ethyl]-3-methoxycyclobutan-1-amine.

Molecular Properties

Compound NameN-[1-(3,5-difluorophenyl)ethyl]-3-methoxycyclobutan-1-amine
PubChem CID113429569
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC NameN-[1-(3,5-difluorophenyl)ethyl]-3-methoxycyclobutan-1-amine
SMILESCOC1CC(NC(C)c2cc(F)cc(F)c2)C1
InChIInChI=1S/C13H17F2NO/c1-8(16-12-6-13(7-12)17-2)9-3-10(14)5-11(15)4-9/h3-5,8,12-13,16H,6-7H2,1-2H3
InChIKeyHMPFKPWZQRFONL-UHFFFAOYSA-N
XLogP2.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]cyclobutan-1-amine
CID 106821544
N-[1-(4-iodophenyl)ethyl]-3-methoxycyclobutan-1-amine
CID 104584402
N-[1-(3,4-dichlorophenyl)ethyl]-3-methoxycyclobutan-1-amine
CID 113429583
N-[1-(2,4-difluorophenyl)ethyl]-3-methoxycyclobutan-1-amine
CID 113429585
tert-butyl N-[3-[1-(3,5-difluorophenyl)ethylamino]cyclobutyl]carbamate
CID 107239164
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-methoxycyclobutan-1-amine
CID 104584449
N-[1-(4-fluorophenyl)propan-2-yl]-3-methoxycyclobutan-1-amine
CID 113429558
2-[1-[(3-methoxycyclobutyl)amino]ethyl]phenol
CID 104584456
6-[1-[(3-methoxycyclobutyl)amino]ethyl]-4H-1,4-benzoxazin-3-one
CID 104871419
1-(3,5-difluorophenyl)-N-methoxyethanamine
CID 82706905
N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3-methoxycyclobutan-1-amine
CID 104584504
N-[1-(3,5-difluorophenyl)ethyl]-2,2-dimethyloxan-4-amine
CID 83033287

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-difluorophenyl)ethyl]-3-methoxycyclobutan-1-amine?
The IUPAC name of N-[1-(3,5-difluorophenyl)ethyl]-3-methoxycyclobutan-1-amine (CID 113429569) is N-[1-(3,5-difluorophenyl)ethyl]-3-methoxycyclobutan-1-amine.
What is the SMILES notation for N-[1-(3,5-difluorophenyl)ethyl]-3-methoxycyclobutan-1-amine?
The canonical SMILES for N-[1-(3,5-difluorophenyl)ethyl]-3-methoxycyclobutan-1-amine is COC1CC(NC(C)c2cc(F)cc(F)c2)C1.
What is the InChIKey of N-[1-(3,5-difluorophenyl)ethyl]-3-methoxycyclobutan-1-amine?
The InChIKey is HMPFKPWZQRFONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c1-8(16-12-6-13(7-12)17-2)9-3-10(14)5-11(15)4-9/h3-5,8,12-13,16H,6-7H2,1-2H3.
What are the key properties of N-[1-(3,5-difluorophenyl)ethyl]-3-methoxycyclobutan-1-amine?
N-[1-(3,5-difluorophenyl)ethyl]-3-methoxycyclobutan-1-amine has a molecular weight of 241.28 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-difluorophenyl)ethyl]-3-methoxycyclobutan-1-amine is sourced from PubChem (CID 113429569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).