N,2-diethyl-3-(3-ethylphenoxy)-2-methylcyclobutan-1-amine

C17H27NO — CID 66358001

IUPACN,2-diethyl-3-(3-ethylphenoxy)-2-methylcyclobutan-1-amine
SMILESCCNC1CC(Oc2cccc(CC)c2)C1(C)CC
InChIInChI=1S/C17H27NO/c1-5-13-9-8-10-14(11-13)19-16-12-15(18-7-3)17(16,4)6-2/h8-11,15-16,18H,5-7,12H2,1-4H3
InChIKeyNJKSKFUXBGKYFG-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.79
Rot. Bonds6

About N,2-diethyl-3-(3-ethylphenoxy)-2-methylcyclobutan-1-amine

N,2-diethyl-3-(3-ethylphenoxy)-2-methylcyclobutan-1-amine (PubChem CID 66358001) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N,2-diethyl-3-(3-ethylphenoxy)-2-methylcyclobutan-1-amine.

Molecular Properties

Compound NameN,2-diethyl-3-(3-ethylphenoxy)-2-methylcyclobutan-1-amine
PubChem CID66358001
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN,2-diethyl-3-(3-ethylphenoxy)-2-methylcyclobutan-1-amine
SMILESCCNC1CC(Oc2cccc(CC)c2)C1(C)CC
InChIInChI=1S/C17H27NO/c1-5-13-9-8-10-14(11-13)19-16-12-15(18-7-3)17(16,4)6-2/h8-11,15-16,18H,5-7,12H2,1-4H3
InChIKeyNJKSKFUXBGKYFG-UHFFFAOYSA-N
XLogP3.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-3-(3-ethylphenoxy)-2-methylcyclobutan-1-amine?
The IUPAC name of N,2-diethyl-3-(3-ethylphenoxy)-2-methylcyclobutan-1-amine (CID 66358001) is N,2-diethyl-3-(3-ethylphenoxy)-2-methylcyclobutan-1-amine.
What is the SMILES notation for N,2-diethyl-3-(3-ethylphenoxy)-2-methylcyclobutan-1-amine?
The canonical SMILES for N,2-diethyl-3-(3-ethylphenoxy)-2-methylcyclobutan-1-amine is CCNC1CC(Oc2cccc(CC)c2)C1(C)CC.
What is the InChIKey of N,2-diethyl-3-(3-ethylphenoxy)-2-methylcyclobutan-1-amine?
The InChIKey is NJKSKFUXBGKYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-5-13-9-8-10-14(11-13)19-16-12-15(18-7-3)17(16,4)6-2/h8-11,15-16,18H,5-7,12H2,1-4H3.
What are the key properties of N,2-diethyl-3-(3-ethylphenoxy)-2-methylcyclobutan-1-amine?
N,2-diethyl-3-(3-ethylphenoxy)-2-methylcyclobutan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-3-(3-ethylphenoxy)-2-methylcyclobutan-1-amine is sourced from PubChem (CID 66358001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).