3-[(4-chlorophenyl)methoxy]-2,2-dimethyl-N-propylcyclobutan-1-amine

C16H24ClNO — CID 66350962

IUPAC3-[(4-chlorophenyl)methoxy]-2,2-dimethyl-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(OCc2ccc(Cl)cc2)C1(C)C
InChIInChI=1S/C16H24ClNO/c1-4-9-18-14-10-15(16(14,2)3)19-11-12-5-7-13(17)8-6-12/h5-8,14-15,18H,4,9-11H2,1-3H3
InChIKeyJFDREXRUYNIOGE-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.02
Rot. Bonds6

About 3-[(4-chlorophenyl)methoxy]-2,2-dimethyl-N-propylcyclobutan-1-amine

3-[(4-chlorophenyl)methoxy]-2,2-dimethyl-N-propylcyclobutan-1-amine (PubChem CID 66350962) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methoxy]-2,2-dimethyl-N-propylcyclobutan-1-amine.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methoxy]-2,2-dimethyl-N-propylcyclobutan-1-amine
PubChem CID66350962
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name3-[(4-chlorophenyl)methoxy]-2,2-dimethyl-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(OCc2ccc(Cl)cc2)C1(C)C
InChIInChI=1S/C16H24ClNO/c1-4-9-18-14-10-15(16(14,2)3)19-11-12-5-7-13(17)8-6-12/h5-8,14-15,18H,4,9-11H2,1-3H3
InChIKeyJFDREXRUYNIOGE-UHFFFAOYSA-N
XLogP4.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-chlorophenyl)methoxy]-N-ethyl-2,2-dimethylcyclobutan-1-amine
CID 66349862
3-[(4-bromophenyl)methoxy]-2,2-diethyl-N-propylcyclobutan-1-amine
CID 82808639
N-ethyl-2,2-dimethyl-3-phenylmethoxycyclobutan-1-amine
CID 66358982
cis-(1R,3S)-3-ethoxy-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 95241171
3-[(4-chlorophenyl)methoxy]-N-ethylspiro[3.4]octan-1-amine
CID 66351177
3-(2-bromo-4-chlorophenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 66357740
3-(2,6-difluorophenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 81267993
3-[(4-bromophenyl)methoxy]-N-propylspiro[3.4]octan-1-amine
CID 82807037
N-[2-(2,4-dichlorophenyl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine
CID 64853256
3-methoxy-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 66357970
2-[(4-chlorophenyl)methoxy]-N-propylcyclopentan-1-amine
CID 65124598
3-(2,5-difluorophenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 66351359

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methoxy]-2,2-dimethyl-N-propylcyclobutan-1-amine?
The IUPAC name of 3-[(4-chlorophenyl)methoxy]-2,2-dimethyl-N-propylcyclobutan-1-amine (CID 66350962) is 3-[(4-chlorophenyl)methoxy]-2,2-dimethyl-N-propylcyclobutan-1-amine.
What is the SMILES notation for 3-[(4-chlorophenyl)methoxy]-2,2-dimethyl-N-propylcyclobutan-1-amine?
The canonical SMILES for 3-[(4-chlorophenyl)methoxy]-2,2-dimethyl-N-propylcyclobutan-1-amine is CCCNC1CC(OCc2ccc(Cl)cc2)C1(C)C.
What is the InChIKey of 3-[(4-chlorophenyl)methoxy]-2,2-dimethyl-N-propylcyclobutan-1-amine?
The InChIKey is JFDREXRUYNIOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-4-9-18-14-10-15(16(14,2)3)19-11-12-5-7-13(17)8-6-12/h5-8,14-15,18H,4,9-11H2,1-3H3.
What are the key properties of 3-[(4-chlorophenyl)methoxy]-2,2-dimethyl-N-propylcyclobutan-1-amine?
3-[(4-chlorophenyl)methoxy]-2,2-dimethyl-N-propylcyclobutan-1-amine has a molecular weight of 281.83 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methoxy]-2,2-dimethyl-N-propylcyclobutan-1-amine is sourced from PubChem (CID 66350962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).