3-(3,4-dichlorophenoxy)-N,2-diethyl-2-methylcyclobutan-1-amine

C15H21Cl2NO — CID 66352641

IUPAC3-(3,4-dichlorophenoxy)-N,2-diethyl-2-methylcyclobutan-1-amine
SMILESCCNC1CC(Oc2ccc(Cl)c(Cl)c2)C1(C)CC
InChIInChI=1S/C15H21Cl2NO/c1-4-15(3)13(18-5-2)9-14(15)19-10-6-7-11(16)12(17)8-10/h6-8,13-14,18H,4-5,9H2,1-3H3
InChIKeyRJONKTBTLRUWFQ-UHFFFAOYSA-N
MW302.25 g/mol
LogP4.54
Rot. Bonds5

About 3-(3,4-dichlorophenoxy)-N,2-diethyl-2-methylcyclobutan-1-amine

3-(3,4-dichlorophenoxy)-N,2-diethyl-2-methylcyclobutan-1-amine (PubChem CID 66352641) has the molecular formula C15H21Cl2NO and a molecular weight of 302.25 g/mol. Its IUPAC name is 3-(3,4-dichlorophenoxy)-N,2-diethyl-2-methylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(3,4-dichlorophenoxy)-N,2-diethyl-2-methylcyclobutan-1-amine
PubChem CID66352641
Molecular FormulaC15H21Cl2NO
Molecular Weight302.25 g/mol
Exact Mass301.10
IUPAC Name3-(3,4-dichlorophenoxy)-N,2-diethyl-2-methylcyclobutan-1-amine
SMILESCCNC1CC(Oc2ccc(Cl)c(Cl)c2)C1(C)CC
InChIInChI=1S/C15H21Cl2NO/c1-4-15(3)13(18-5-2)9-14(15)19-10-6-7-11(16)12(17)8-10/h6-8,13-14,18H,4-5,9H2,1-3H3
InChIKeyRJONKTBTLRUWFQ-UHFFFAOYSA-N
XLogP4.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-dimethylphenoxy)-N,2-diethyl-2-methylcyclobutan-1-amine
CID 66358932
N,2-diethyl-3-(4-methoxyphenoxy)-2-methylcyclobutan-1-amine
CID 66358548
3-(3-chloro-4-fluorophenoxy)-2-ethyl-2-methyl-N-propylcyclobutan-1-amine
CID 66350709
N,2-diethyl-3-(3-ethylphenoxy)-2-methylcyclobutan-1-amine
CID 66358001
3-(3,4-dimethylphenoxy)-2-ethyl-2-methyl-N-propylcyclobutan-1-amine
CID 66359337
N,2-diethyl-2-methyl-3-quinolin-3-yloxycyclobutan-1-amine
CID 107388343
1-chloro-4-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-2-methylbenzene
CID 66345737
4-(3-bromo-2-ethyl-2-methylcyclobutyl)oxy-1-chloro-2-ethylbenzene
CID 66343875
3-(4-chloro-3-ethylphenoxy)-N-ethylspiro[3.4]octan-1-amine
CID 66356846
2-ethyl-3-(4-methoxyphenoxy)-2-methyl-N-propylcyclobutan-1-amine
CID 66358954
3-(4-chloro-3-fluorophenoxy)-N-ethylspiro[3.4]octan-1-amine
CID 82717774
3-(3,5-dichlorophenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine
CID 66357069

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenoxy)-N,2-diethyl-2-methylcyclobutan-1-amine?
The IUPAC name of 3-(3,4-dichlorophenoxy)-N,2-diethyl-2-methylcyclobutan-1-amine (CID 66352641) is 3-(3,4-dichlorophenoxy)-N,2-diethyl-2-methylcyclobutan-1-amine.
What is the SMILES notation for 3-(3,4-dichlorophenoxy)-N,2-diethyl-2-methylcyclobutan-1-amine?
The canonical SMILES for 3-(3,4-dichlorophenoxy)-N,2-diethyl-2-methylcyclobutan-1-amine is CCNC1CC(Oc2ccc(Cl)c(Cl)c2)C1(C)CC.
What is the InChIKey of 3-(3,4-dichlorophenoxy)-N,2-diethyl-2-methylcyclobutan-1-amine?
The InChIKey is RJONKTBTLRUWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO/c1-4-15(3)13(18-5-2)9-14(15)19-10-6-7-11(16)12(17)8-10/h6-8,13-14,18H,4-5,9H2,1-3H3.
What are the key properties of 3-(3,4-dichlorophenoxy)-N,2-diethyl-2-methylcyclobutan-1-amine?
3-(3,4-dichlorophenoxy)-N,2-diethyl-2-methylcyclobutan-1-amine has a molecular weight of 302.25 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenoxy)-N,2-diethyl-2-methylcyclobutan-1-amine is sourced from PubChem (CID 66352641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).