2,2-diethyl-3-(3-fluoro-4-methoxyphenyl)-N-propylcyclobutan-1-amine

C18H28FNO — CID 81418140

IUPAC2,2-diethyl-3-(3-fluoro-4-methoxyphenyl)-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(c2ccc(OC)c(F)c2)C1(CC)CC
InChIInChI=1S/C18H28FNO/c1-5-10-20-17-12-14(18(17,6-2)7-3)13-8-9-16(21-4)15(19)11-13/h8-9,11,14,17,20H,5-7,10,12H2,1-4H3
InChIKeyXGZMELROZXQWHO-UHFFFAOYSA-N
MW293.43 g/mol
LogP4.50
Rot. Bonds7

About 2,2-diethyl-3-(3-fluoro-4-methoxyphenyl)-N-propylcyclobutan-1-amine

2,2-diethyl-3-(3-fluoro-4-methoxyphenyl)-N-propylcyclobutan-1-amine (PubChem CID 81418140) has the molecular formula C18H28FNO and a molecular weight of 293.43 g/mol. Its IUPAC name is 2,2-diethyl-3-(3-fluoro-4-methoxyphenyl)-N-propylcyclobutan-1-amine.

Molecular Properties

Compound Name2,2-diethyl-3-(3-fluoro-4-methoxyphenyl)-N-propylcyclobutan-1-amine
PubChem CID81418140
Molecular FormulaC18H28FNO
Molecular Weight293.43 g/mol
Exact Mass293.22
IUPAC Name2,2-diethyl-3-(3-fluoro-4-methoxyphenyl)-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(c2ccc(OC)c(F)c2)C1(CC)CC
InChIInChI=1S/C18H28FNO/c1-5-10-20-17-12-14(18(17,6-2)7-3)13-8-9-16(21-4)15(19)11-13/h8-9,11,14,17,20H,5-7,10,12H2,1-4H3
InChIKeyXGZMELROZXQWHO-UHFFFAOYSA-N
XLogP4.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-dimethoxyphenyl)-2-ethyl-2-methyl-N-propylcyclobutan-1-amine
CID 81418332
2,2-diethyl-3-(3-fluoro-4-methoxyphenyl)cyclobutan-1-one
CID 81415947
3-(2,6-difluorophenyl)-2,2-diethyl-N-propylcyclobutan-1-amine
CID 81421409
3-(3-fluoro-4-methylphenyl)-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 81417937
4-(2,2-dimethylcyclopropyl)-2-fluoro-1-methoxybenzene
CID 165178047
2,2-diethyl-3-(4-fluoro-3-methylphenyl)-N-methylcyclobutan-1-amine
CID 81417750
N-ethyl-3-(3-fluoro-4-methoxyphenyl)cyclopentan-1-amine
CID 64504260
3-[(3-fluoro-4-methoxyphenyl)methyl]-N-propylcyclopentan-1-amine
CID 64506176
3-(4-bromo-2-fluorophenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 66358022
3-(2,5-dimethoxyphenyl)-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 81417833
3-(2,5-difluorophenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 66351359
3-(2,6-dichlorophenoxy)-2,2-diethyl-N-propylcyclobutan-1-amine
CID 66357264

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-3-(3-fluoro-4-methoxyphenyl)-N-propylcyclobutan-1-amine?
The IUPAC name of 2,2-diethyl-3-(3-fluoro-4-methoxyphenyl)-N-propylcyclobutan-1-amine (CID 81418140) is 2,2-diethyl-3-(3-fluoro-4-methoxyphenyl)-N-propylcyclobutan-1-amine.
What is the SMILES notation for 2,2-diethyl-3-(3-fluoro-4-methoxyphenyl)-N-propylcyclobutan-1-amine?
The canonical SMILES for 2,2-diethyl-3-(3-fluoro-4-methoxyphenyl)-N-propylcyclobutan-1-amine is CCCNC1CC(c2ccc(OC)c(F)c2)C1(CC)CC.
What is the InChIKey of 2,2-diethyl-3-(3-fluoro-4-methoxyphenyl)-N-propylcyclobutan-1-amine?
The InChIKey is XGZMELROZXQWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FNO/c1-5-10-20-17-12-14(18(17,6-2)7-3)13-8-9-16(21-4)15(19)11-13/h8-9,11,14,17,20H,5-7,10,12H2,1-4H3.
What are the key properties of 2,2-diethyl-3-(3-fluoro-4-methoxyphenyl)-N-propylcyclobutan-1-amine?
2,2-diethyl-3-(3-fluoro-4-methoxyphenyl)-N-propylcyclobutan-1-amine has a molecular weight of 293.43 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-3-(3-fluoro-4-methoxyphenyl)-N-propylcyclobutan-1-amine is sourced from PubChem (CID 81418140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).