1-[5-chloro-2-(difluoromethoxy)phenyl]-N-[(1-methoxycyclobutyl)methyl]methanamine

C14H18ClF2NO2 — CID 103991542

IUPAC1-[5-chloro-2-(difluoromethoxy)phenyl]-N-[(1-methoxycyclobutyl)methyl]methanamine
SMILESCOC1(CNCc2cc(Cl)ccc2OC(F)F)CCC1
InChIInChI=1S/C14H18ClF2NO2/c1-19-14(5-2-6-14)9-18-8-10-7-11(15)3-4-12(10)20-13(16)17/h3-4,7,13,18H,2,5-6,8-9H2,1H3
InChIKeyYNFIMEZXRLPGHG-UHFFFAOYSA-N
MW305.75 g/mol
LogP3.60
Rot. Bonds7

About 1-[5-chloro-2-(difluoromethoxy)phenyl]-N-[(1-methoxycyclobutyl)methyl]methanamine

1-[5-chloro-2-(difluoromethoxy)phenyl]-N-[(1-methoxycyclobutyl)methyl]methanamine (PubChem CID 103991542) has the molecular formula C14H18ClF2NO2 and a molecular weight of 305.75 g/mol. Its IUPAC name is 1-[5-chloro-2-(difluoromethoxy)phenyl]-N-[(1-methoxycyclobutyl)methyl]methanamine.

Molecular Properties

Compound Name1-[5-chloro-2-(difluoromethoxy)phenyl]-N-[(1-methoxycyclobutyl)methyl]methanamine
PubChem CID103991542
Molecular FormulaC14H18ClF2NO2
Molecular Weight305.75 g/mol
Exact Mass305.10
IUPAC Name1-[5-chloro-2-(difluoromethoxy)phenyl]-N-[(1-methoxycyclobutyl)methyl]methanamine
SMILESCOC1(CNCc2cc(Cl)ccc2OC(F)F)CCC1
InChIInChI=1S/C14H18ClF2NO2/c1-19-14(5-2-6-14)9-18-8-10-7-11(15)3-4-12(10)20-13(16)17/h3-4,7,13,18H,2,5-6,8-9H2,1H3
InChIKeyYNFIMEZXRLPGHG-UHFFFAOYSA-N
XLogP3.60
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.75
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-cyclopentyloxyphenyl)-N-[(4-methoxyoxan-4-yl)methyl]methanamine
CID 126776256
1-[5-chloro-2-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 43214102
2-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]ethanol
CID 43424974
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methylbutan-1-amine
CID 43234453
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-methylbutan-1-amine
CID 62693915
methyl 3-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]propanoate
CID 43425032
2-chloro-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]prop-2-en-1-amine
CID 115702536
N-[(1-methoxycyclobutyl)methyl]-1-(2-propan-2-yloxyphenyl)methanamine
CID 103991718
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-N',N'-diethylethane-1,2-diamine
CID 43425082
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-5-methylhexan-1-amine
CID 115325198
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methylcyclohexan-1-amine
CID 43433759
1-[5-chloro-2-(difluoromethoxy)phenyl]-N-(2-methoxyethoxy)methanamine
CID 82715328

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(difluoromethoxy)phenyl]-N-[(1-methoxycyclobutyl)methyl]methanamine?
The IUPAC name of 1-[5-chloro-2-(difluoromethoxy)phenyl]-N-[(1-methoxycyclobutyl)methyl]methanamine (CID 103991542) is 1-[5-chloro-2-(difluoromethoxy)phenyl]-N-[(1-methoxycyclobutyl)methyl]methanamine.
What is the SMILES notation for 1-[5-chloro-2-(difluoromethoxy)phenyl]-N-[(1-methoxycyclobutyl)methyl]methanamine?
The canonical SMILES for 1-[5-chloro-2-(difluoromethoxy)phenyl]-N-[(1-methoxycyclobutyl)methyl]methanamine is COC1(CNCc2cc(Cl)ccc2OC(F)F)CCC1.
What is the InChIKey of 1-[5-chloro-2-(difluoromethoxy)phenyl]-N-[(1-methoxycyclobutyl)methyl]methanamine?
The InChIKey is YNFIMEZXRLPGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClF2NO2/c1-19-14(5-2-6-14)9-18-8-10-7-11(15)3-4-12(10)20-13(16)17/h3-4,7,13,18H,2,5-6,8-9H2,1H3.
What are the key properties of 1-[5-chloro-2-(difluoromethoxy)phenyl]-N-[(1-methoxycyclobutyl)methyl]methanamine?
1-[5-chloro-2-(difluoromethoxy)phenyl]-N-[(1-methoxycyclobutyl)methyl]methanamine has a molecular weight of 305.75 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(difluoromethoxy)phenyl]-N-[(1-methoxycyclobutyl)methyl]methanamine is sourced from PubChem (CID 103991542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).