N-ethyl-3-(3-propan-2-ylphenoxy)-2-propoxycyclobutan-1-amine

C18H29NO2 — CID 107943185

IUPACN-ethyl-3-(3-propan-2-ylphenoxy)-2-propoxycyclobutan-1-amine
SMILESCCCOC1C(NCC)CC1Oc1cccc(C(C)C)c1
InChIInChI=1S/C18H29NO2/c1-5-10-20-18-16(19-6-2)12-17(18)21-15-9-7-8-14(11-15)13(3)4/h7-9,11,13,16-19H,5-6,10,12H2,1-4H3
InChIKeyVTTNYMHIHIHKKF-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.73
Rot. Bonds8

About N-ethyl-3-(3-propan-2-ylphenoxy)-2-propoxycyclobutan-1-amine

N-ethyl-3-(3-propan-2-ylphenoxy)-2-propoxycyclobutan-1-amine (PubChem CID 107943185) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-ethyl-3-(3-propan-2-ylphenoxy)-2-propoxycyclobutan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(3-propan-2-ylphenoxy)-2-propoxycyclobutan-1-amine
PubChem CID107943185
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-ethyl-3-(3-propan-2-ylphenoxy)-2-propoxycyclobutan-1-amine
SMILESCCCOC1C(NCC)CC1Oc1cccc(C(C)C)c1
InChIInChI=1S/C18H29NO2/c1-5-10-20-18-16(19-6-2)12-17(18)21-15-9-7-8-14(11-15)13(3)4/h7-9,11,13,16-19H,5-6,10,12H2,1-4H3
InChIKeyVTTNYMHIHIHKKF-UHFFFAOYSA-N
XLogP3.73
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-3-(3-propan-2-ylphenoxy)cyclobutan-1-amine
CID 104675953
2-ethoxy-N-ethyl-3-(3-iodophenoxy)cyclobutan-1-amine
CID 104676309
2-ethoxy-3-(3-propan-2-ylphenoxy)cyclobutan-1-ol
CID 104675275
2-ethoxy-N-ethyl-3-naphthalen-2-yloxycyclobutan-1-amine
CID 104676053
N-methyl-3-(3-methylphenoxy)-2-propoxycyclobutan-1-amine
CID 107943241
2-ethoxy-N-ethyl-3-[3-(trifluoromethyl)phenoxy]cyclobutan-1-amine
CID 104676220
N-ethyl-2,2-dimethyl-5-(3-propan-2-ylphenoxy)cyclopentan-1-amine
CID 79860772
N-methyl-3-(3-methyl-4-propan-2-ylphenoxy)-2-propoxycyclobutan-1-amine
CID 107943205
N-ethyl-3-(2-methylphenoxy)-2-propoxycyclobutan-1-amine
CID 107943243
3-(2-bromo-6-methoxyphenoxy)-N-ethyl-2-propoxycyclobutan-1-amine
CID 107943835
N-ethyl-2-methoxy-3-(4-propoxyphenoxy)cyclobutan-1-amine
CID 104674553
3-(3,4-difluorophenoxy)-2-ethoxy-N-ethylcyclobutan-1-amine
CID 104676375

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(3-propan-2-ylphenoxy)-2-propoxycyclobutan-1-amine?
The IUPAC name of N-ethyl-3-(3-propan-2-ylphenoxy)-2-propoxycyclobutan-1-amine (CID 107943185) is N-ethyl-3-(3-propan-2-ylphenoxy)-2-propoxycyclobutan-1-amine.
What is the SMILES notation for N-ethyl-3-(3-propan-2-ylphenoxy)-2-propoxycyclobutan-1-amine?
The canonical SMILES for N-ethyl-3-(3-propan-2-ylphenoxy)-2-propoxycyclobutan-1-amine is CCCOC1C(NCC)CC1Oc1cccc(C(C)C)c1.
What is the InChIKey of N-ethyl-3-(3-propan-2-ylphenoxy)-2-propoxycyclobutan-1-amine?
The InChIKey is VTTNYMHIHIHKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-5-10-20-18-16(19-6-2)12-17(18)21-15-9-7-8-14(11-15)13(3)4/h7-9,11,13,16-19H,5-6,10,12H2,1-4H3.
What are the key properties of N-ethyl-3-(3-propan-2-ylphenoxy)-2-propoxycyclobutan-1-amine?
N-ethyl-3-(3-propan-2-ylphenoxy)-2-propoxycyclobutan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(3-propan-2-ylphenoxy)-2-propoxycyclobutan-1-amine is sourced from PubChem (CID 107943185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).