3-[(3-chlorophenyl)methoxy]-N-ethyl-2,2-dimethylcyclobutan-1-amine

C15H22ClNO — CID 66349862

IUPAC3-[(3-chlorophenyl)methoxy]-N-ethyl-2,2-dimethylcyclobutan-1-amine
SMILESCCNC1CC(OCc2cccc(Cl)c2)C1(C)C
InChIInChI=1S/C15H22ClNO/c1-4-17-13-9-14(15(13,2)3)18-10-11-6-5-7-12(16)8-11/h5-8,13-14,17H,4,9-10H2,1-3H3
InChIKeyMGAMETVKAKELPA-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.63
Rot. Bonds5

About 3-[(3-chlorophenyl)methoxy]-N-ethyl-2,2-dimethylcyclobutan-1-amine

3-[(3-chlorophenyl)methoxy]-N-ethyl-2,2-dimethylcyclobutan-1-amine (PubChem CID 66349862) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methoxy]-N-ethyl-2,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methoxy]-N-ethyl-2,2-dimethylcyclobutan-1-amine
PubChem CID66349862
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name3-[(3-chlorophenyl)methoxy]-N-ethyl-2,2-dimethylcyclobutan-1-amine
SMILESCCNC1CC(OCc2cccc(Cl)c2)C1(C)C
InChIInChI=1S/C15H22ClNO/c1-4-17-13-9-14(15(13,2)3)18-10-11-6-5-7-12(16)8-11/h5-8,13-14,17H,4,9-10H2,1-3H3
InChIKeyMGAMETVKAKELPA-UHFFFAOYSA-N
XLogP3.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2,2-dimethyl-3-phenylmethoxycyclobutan-1-amine
CID 66358982
3-[(3-chlorophenyl)methoxy]-2-ethyl-N,2-dimethylcyclobutan-1-amine
CID 66350520
3-[(4-chlorophenyl)methoxy]-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 66350962
3-[(3-chlorophenyl)methoxy]-N-methylspiro[3.5]nonan-1-amine
CID 66349861
3-(2,6-dichlorophenoxy)-N-ethyl-2,2-dimethylcyclobutan-1-amine
CID 66357271
3-[(4-chlorophenyl)methoxy]-N-ethylspiro[3.4]octan-1-amine
CID 66351177
N-[2-(2,4-dichlorophenyl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine
CID 64853256
3-(2-chloro-4-methylphenoxy)-N-ethyl-2,2-dimethylcyclobutan-1-amine
CID 66351139
3-[(3-bromophenyl)methoxy]-2,2-diethyl-N-methylcyclobutan-1-amine
CID 82825839
3-[[(3-methoxy-2,2-dimethylcyclobutyl)amino]methyl]phenol
CID 103743260
cis-(1R,3S)-2,2-dimethyl-3-phenylmethoxy-N-(thiadiazol-4-ylmethyl)cyclobutan-1-amine
CID 124618678
4-chloro-2-N-(3-ethoxy-2,2-dimethylcyclobutyl)-1-N,1-N-dimethylbenzene-1,2-diamine
CID 64851917

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)methoxy]-N-ethyl-2,2-dimethylcyclobutan-1-amine?
The IUPAC name of 3-[(3-chlorophenyl)methoxy]-N-ethyl-2,2-dimethylcyclobutan-1-amine (CID 66349862) is 3-[(3-chlorophenyl)methoxy]-N-ethyl-2,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for 3-[(3-chlorophenyl)methoxy]-N-ethyl-2,2-dimethylcyclobutan-1-amine?
The canonical SMILES for 3-[(3-chlorophenyl)methoxy]-N-ethyl-2,2-dimethylcyclobutan-1-amine is CCNC1CC(OCc2cccc(Cl)c2)C1(C)C.
What is the InChIKey of 3-[(3-chlorophenyl)methoxy]-N-ethyl-2,2-dimethylcyclobutan-1-amine?
The InChIKey is MGAMETVKAKELPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-4-17-13-9-14(15(13,2)3)18-10-11-6-5-7-12(16)8-11/h5-8,13-14,17H,4,9-10H2,1-3H3.
What are the key properties of 3-[(3-chlorophenyl)methoxy]-N-ethyl-2,2-dimethylcyclobutan-1-amine?
3-[(3-chlorophenyl)methoxy]-N-ethyl-2,2-dimethylcyclobutan-1-amine has a molecular weight of 267.80 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methoxy]-N-ethyl-2,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 66349862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).