3-ethoxy-2,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]cyclobutan-1-amine

C18H29NO — CID 64850958

IUPAC3-ethoxy-2,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]cyclobutan-1-amine
SMILESCCOC1CC(NCc2ccc(C(C)C)cc2)C1(C)C
InChIInChI=1S/C18H29NO/c1-6-20-17-11-16(18(17,4)5)19-12-14-7-9-15(10-8-14)13(2)3/h7-10,13,16-17,19H,6,11-12H2,1-5H3
InChIKeyKXIKAYXKZKQXTA-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.10
Rot. Bonds6

About 3-ethoxy-2,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]cyclobutan-1-amine

3-ethoxy-2,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]cyclobutan-1-amine (PubChem CID 64850958) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 3-ethoxy-2,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-2,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]cyclobutan-1-amine
PubChem CID64850958
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name3-ethoxy-2,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]cyclobutan-1-amine
SMILESCCOC1CC(NCc2ccc(C(C)C)cc2)C1(C)C
InChIInChI=1S/C18H29NO/c1-6-20-17-11-16(18(17,4)5)19-12-14-7-9-15(10-8-14)13(2)3/h7-10,13,16-17,19H,6,11-12H2,1-5H3
InChIKeyKXIKAYXKZKQXTA-UHFFFAOYSA-N
XLogP4.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-N-[(4-methoxyphenyl)methyl]-2,2-dimethylcyclobutan-1-amine
CID 64687156
2,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]cyclopropan-1-amine
CID 61222463
N-[1-(4-chlorophenyl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine
CID 64688345
3-ethoxy-2,2-dimethyl-N-[(3-methyl-4-methylsulfonylphenyl)methyl]cyclobutan-1-amine
CID 75497543
3-ethoxy-2,2-dimethyl-N-(naphthalen-1-ylmethyl)cyclobutan-1-amine
CID 64852908
3-ethoxy-2,2-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]cyclobutan-1-amine
CID 113239738
2,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]cyclopentan-1-amine
CID 79857076
cis-(1R,3S)-3-ethoxy-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 95241171
3-ethoxy-N-[(4-methylphenyl)methyl]spiro[3.3]heptan-1-amine
CID 65295035
3-ethoxy-2,2-dimethyl-N-[(1R)-1-pyridin-4-ylethyl]cyclobutan-1-amine
CID 81406092
3-ethoxy-2,2-dimethyl-N-[(3-methyl-2-pyridinyl)methyl]cyclobutan-1-amine
CID 64852721
3-ethoxy-2,2-dimethyl-N-(2-propan-2-yloxyethyl)cyclobutan-1-amine
CID 104584738

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-2,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]cyclobutan-1-amine (CID 64850958) is 3-ethoxy-2,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-2,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-2,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]cyclobutan-1-amine is CCOC1CC(NCc2ccc(C(C)C)cc2)C1(C)C.
What is the InChIKey of 3-ethoxy-2,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]cyclobutan-1-amine?
The InChIKey is KXIKAYXKZKQXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-6-20-17-11-16(18(17,4)5)19-12-14-7-9-15(10-8-14)13(2)3/h7-10,13,16-17,19H,6,11-12H2,1-5H3.
What are the key properties of 3-ethoxy-2,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]cyclobutan-1-amine?
3-ethoxy-2,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]cyclobutan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 64850958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).