N-[[1-(4-ethoxyphenyl)-3-ethylcyclobutyl]methyl]propan-2-amine

C18H29NO — CID 64997706

IUPACN-[[1-(4-ethoxyphenyl)-3-ethylcyclobutyl]methyl]propan-2-amine
SMILESCCOc1ccc(C2(CNC(C)C)CC(CC)C2)cc1
InChIInChI=1S/C18H29NO/c1-5-15-11-18(12-15,13-19-14(3)4)16-7-9-17(10-8-16)20-6-2/h7-10,14-15,19H,5-6,11-13H2,1-4H3
InChIKeyGIPPGAMSPDPVDW-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.14
Rot. Bonds7

About N-[[1-(4-ethoxyphenyl)-3-ethylcyclobutyl]methyl]propan-2-amine

N-[[1-(4-ethoxyphenyl)-3-ethylcyclobutyl]methyl]propan-2-amine (PubChem CID 64997706) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[[1-(4-ethoxyphenyl)-3-ethylcyclobutyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(4-ethoxyphenyl)-3-ethylcyclobutyl]methyl]propan-2-amine
PubChem CID64997706
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-[[1-(4-ethoxyphenyl)-3-ethylcyclobutyl]methyl]propan-2-amine
SMILESCCOc1ccc(C2(CNC(C)C)CC(CC)C2)cc1
InChIInChI=1S/C18H29NO/c1-5-15-11-18(12-15,13-19-14(3)4)16-7-9-17(10-8-16)20-6-2/h7-10,14-15,19H,5-6,11-13H2,1-4H3
InChIKeyGIPPGAMSPDPVDW-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-ethoxyphenyl)-3-ethylcyclobutyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(4-ethoxyphenyl)-3-ethylcyclobutyl]methyl]propan-2-amine (CID 64997706) is N-[[1-(4-ethoxyphenyl)-3-ethylcyclobutyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(4-ethoxyphenyl)-3-ethylcyclobutyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(4-ethoxyphenyl)-3-ethylcyclobutyl]methyl]propan-2-amine is CCOc1ccc(C2(CNC(C)C)CC(CC)C2)cc1.
What is the InChIKey of N-[[1-(4-ethoxyphenyl)-3-ethylcyclobutyl]methyl]propan-2-amine?
The InChIKey is GIPPGAMSPDPVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-5-15-11-18(12-15,13-19-14(3)4)16-7-9-17(10-8-16)20-6-2/h7-10,14-15,19H,5-6,11-13H2,1-4H3.
What are the key properties of N-[[1-(4-ethoxyphenyl)-3-ethylcyclobutyl]methyl]propan-2-amine?
N-[[1-(4-ethoxyphenyl)-3-ethylcyclobutyl]methyl]propan-2-amine has a molecular weight of 275.44 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-ethoxyphenyl)-3-ethylcyclobutyl]methyl]propan-2-amine is sourced from PubChem (CID 64997706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).