3-[(3-bromophenyl)methoxy]-2,2-diethyl-N-methylcyclobutan-1-amine

C16H24BrNO — CID 82825839

IUPAC3-[(3-bromophenyl)methoxy]-2,2-diethyl-N-methylcyclobutan-1-amine
SMILESCCC1(CC)C(NC)CC1OCc1cccc(Br)c1
InChIInChI=1S/C16H24BrNO/c1-4-16(5-2)14(18-3)10-15(16)19-11-12-7-6-8-13(17)9-12/h6-9,14-15,18H,4-5,10-11H2,1-3H3
InChIKeyUKJYNXJHDNPIDH-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.13
Rot. Bonds6

About 3-[(3-bromophenyl)methoxy]-2,2-diethyl-N-methylcyclobutan-1-amine

3-[(3-bromophenyl)methoxy]-2,2-diethyl-N-methylcyclobutan-1-amine (PubChem CID 82825839) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is 3-[(3-bromophenyl)methoxy]-2,2-diethyl-N-methylcyclobutan-1-amine.

Molecular Properties

Compound Name3-[(3-bromophenyl)methoxy]-2,2-diethyl-N-methylcyclobutan-1-amine
PubChem CID82825839
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC Name3-[(3-bromophenyl)methoxy]-2,2-diethyl-N-methylcyclobutan-1-amine
SMILESCCC1(CC)C(NC)CC1OCc1cccc(Br)c1
InChIInChI=1S/C16H24BrNO/c1-4-16(5-2)14(18-3)10-15(16)19-11-12-7-6-8-13(17)9-12/h6-9,14-15,18H,4-5,10-11H2,1-3H3
InChIKeyUKJYNXJHDNPIDH-UHFFFAOYSA-N
XLogP4.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-bromophenyl)methoxy]-N-methylspiro[3.6]decan-1-amine
CID 82807158
3-[(3-chlorophenyl)methoxy]-2-ethyl-N,2-dimethylcyclobutan-1-amine
CID 66350520
1-bromo-3-[(3-chloro-2,2-dimethylcyclobutyl)oxymethyl]benzene
CID 82825989
trans-(1R,3R)-3-ethoxy-2,2-diethyl-N-methylcyclobutan-1-amine
CID 95781902
3-[(3-bromophenyl)methoxy]-2-methoxycyclobutan-1-ol
CID 104673746
3-[(3-chlorophenyl)methoxy]-N-methylspiro[3.5]nonan-1-amine
CID 66349861
2,2-diethyl-N-methyl-3-propoxycyclobutan-1-amine
CID 66358674
3-[(3-chlorophenyl)methoxy]-N-ethyl-2,2-dimethylcyclobutan-1-amine
CID 66349862
1-[(3-bromophenyl)methoxy]-3-chlorospiro[3.5]nonane
CID 82825044
3-[(3-bromophenyl)methoxy]cyclobutan-1-one
CID 82826300
3-(2-bromo-4-fluorophenoxy)-2,2-diethyl-N-methylcyclobutan-1-amine
CID 66356948
2,2-diethyl-N-methyl-3-(4-methylphenoxy)cyclobutan-1-amine
CID 66356750

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromophenyl)methoxy]-2,2-diethyl-N-methylcyclobutan-1-amine?
The IUPAC name of 3-[(3-bromophenyl)methoxy]-2,2-diethyl-N-methylcyclobutan-1-amine (CID 82825839) is 3-[(3-bromophenyl)methoxy]-2,2-diethyl-N-methylcyclobutan-1-amine.
What is the SMILES notation for 3-[(3-bromophenyl)methoxy]-2,2-diethyl-N-methylcyclobutan-1-amine?
The canonical SMILES for 3-[(3-bromophenyl)methoxy]-2,2-diethyl-N-methylcyclobutan-1-amine is CCC1(CC)C(NC)CC1OCc1cccc(Br)c1.
What is the InChIKey of 3-[(3-bromophenyl)methoxy]-2,2-diethyl-N-methylcyclobutan-1-amine?
The InChIKey is UKJYNXJHDNPIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-4-16(5-2)14(18-3)10-15(16)19-11-12-7-6-8-13(17)9-12/h6-9,14-15,18H,4-5,10-11H2,1-3H3.
What are the key properties of 3-[(3-bromophenyl)methoxy]-2,2-diethyl-N-methylcyclobutan-1-amine?
3-[(3-bromophenyl)methoxy]-2,2-diethyl-N-methylcyclobutan-1-amine has a molecular weight of 326.28 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromophenyl)methoxy]-2,2-diethyl-N-methylcyclobutan-1-amine is sourced from PubChem (CID 82825839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).