N-[1-(2,5-dimethylphenyl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine

C18H29NO — CID 64852507

IUPACN-[1-(2,5-dimethylphenyl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine
SMILESCCOC1CC(NC(C)c2cc(C)ccc2C)C1(C)C
InChIInChI=1S/C18H29NO/c1-7-20-17-11-16(18(17,5)6)19-14(4)15-10-12(2)8-9-13(15)3/h8-10,14,16-17,19H,7,11H2,1-6H3
InChIKeyPEGVPEIZNWOFSS-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.16
Rot. Bonds5

About N-[1-(2,5-dimethylphenyl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine

N-[1-(2,5-dimethylphenyl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine (PubChem CID 64852507) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[1-(2,5-dimethylphenyl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethylphenyl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine
PubChem CID64852507
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-[1-(2,5-dimethylphenyl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine
SMILESCCOC1CC(NC(C)c2cc(C)ccc2C)C1(C)C
InChIInChI=1S/C18H29NO/c1-7-20-17-11-16(18(17,5)6)19-14(4)15-10-12(2)8-9-13(15)3/h8-10,14,16-17,19H,7,11H2,1-6H3
InChIKeyPEGVPEIZNWOFSS-UHFFFAOYSA-N
XLogP4.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-2,2-dimethyl-N-[1-(2-methylphenyl)ethyl]cyclobutan-1-amine
CID 64852089
N-[1-(4-chlorophenyl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine
CID 64688345
3-ethoxy-2,2-dimethyl-N-[(1R)-1-pyridin-4-ylethyl]cyclobutan-1-amine
CID 81406092
3-ethoxy-N-[1-(furan-2-yl)ethyl]-2,2-dimethylcyclobutan-1-amine
CID 64853268
3-ethoxy-N-[1-(furan-3-yl)ethyl]-2,2-dimethylcyclobutan-1-amine
CID 103784928
N-(3-ethoxy-2,2-dimethylcyclobutyl)-3,4-dimethylaniline
CID 64850915
3-ethoxy-2,2-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]cyclobutan-1-amine
CID 81401968
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine
CID 64850341
2-chloro-N-(3-ethoxy-2,2-dimethylcyclobutyl)-5-methylaniline
CID 107630674
N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-fluoro-4-methylaniline
CID 64853264
3-ethoxy-2,2-dimethyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine
CID 64852133
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine
CID 103830771

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine?
The IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine (CID 64852507) is N-[1-(2,5-dimethylphenyl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for N-[1-(2,5-dimethylphenyl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine?
The canonical SMILES for N-[1-(2,5-dimethylphenyl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine is CCOC1CC(NC(C)c2cc(C)ccc2C)C1(C)C.
What is the InChIKey of N-[1-(2,5-dimethylphenyl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine?
The InChIKey is PEGVPEIZNWOFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-7-20-17-11-16(18(17,5)6)19-14(4)15-10-12(2)8-9-13(15)3/h8-10,14,16-17,19H,7,11H2,1-6H3.
What are the key properties of N-[1-(2,5-dimethylphenyl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine?
N-[1-(2,5-dimethylphenyl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylphenyl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 64852507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).