N-[2-[6-[(4-chlorophenyl)methoxy]-2-ethyl-3,4-dihydrochromen-2-yl]ethyl]cyclobutanamine

C24H30ClNO2 — CID 143841724

IUPACN-[2-[6-[(4-chlorophenyl)methoxy]-2-ethyl-3,4-dihydrochromen-2-yl]ethyl]cyclobutanamine
SMILESCCC1(CCNC2CCC2)CCc2cc(OCc3ccc(Cl)cc3)ccc2O1
InChIInChI=1S/C24H30ClNO2/c1-2-24(14-15-26-21-4-3-5-21)13-12-19-16-22(10-11-23(19)28-24)27-17-18-6-8-20(25)9-7-18/h6-11,16,21,26H,2-5,12-15,17H2,1H3
InChIKeyPOKPDOLIQNLMKQ-UHFFFAOYSA-N
MW399.96 g/mol
LogP5.93
Rot. Bonds8

About N-[2-[6-[(4-chlorophenyl)methoxy]-2-ethyl-3,4-dihydrochromen-2-yl]ethyl]cyclobutanamine

N-[2-[6-[(4-chlorophenyl)methoxy]-2-ethyl-3,4-dihydrochromen-2-yl]ethyl]cyclobutanamine (PubChem CID 143841724) has the molecular formula C24H30ClNO2 and a molecular weight of 399.96 g/mol. Its IUPAC name is N-[2-[6-[(4-chlorophenyl)methoxy]-2-ethyl-3,4-dihydrochromen-2-yl]ethyl]cyclobutanamine.

Molecular Properties

Compound NameN-[2-[6-[(4-chlorophenyl)methoxy]-2-ethyl-3,4-dihydrochromen-2-yl]ethyl]cyclobutanamine
PubChem CID143841724
Molecular FormulaC24H30ClNO2
Molecular Weight399.96 g/mol
Exact Mass399.20
IUPAC NameN-[2-[6-[(4-chlorophenyl)methoxy]-2-ethyl-3,4-dihydrochromen-2-yl]ethyl]cyclobutanamine
SMILESCCC1(CCNC2CCC2)CCc2cc(OCc3ccc(Cl)cc3)ccc2O1
InChIInChI=1S/C24H30ClNO2/c1-2-24(14-15-26-21-4-3-5-21)13-12-19-16-22(10-11-23(19)28-24)27-17-18-6-8-20(25)9-7-18/h6-11,16,21,26H,2-5,12-15,17H2,1H3
InChIKeyPOKPDOLIQNLMKQ-UHFFFAOYSA-N
XLogP5.93
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.96
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorobenzyl)-6-ethoxy-3,4-dihydro-2H-1,3-benzoxazine
CID 945743
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CID 25263314
4-{3-[(1S)-1-(3-chlorophenyl)ethoxy]-2-methylphenyl}piperidine
CID 25263322
4-{3-[(1R)-1-(3-chlorophenyl)ethoxy]-2-methylphenyl}piperidine
CID 25263323
4-{3-[1-(3-Chlorophenyl)propoxy]-2-methylphenyl}piperidine
CID 25263324
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CID 44367721
4-{3-[(3-Chlorophenyl)methoxy]-2-methylphenyl}piperidin-4-ol
CID 25263325
[3-(4-Chloro-phenyl)-3-(naphthalen-1-yloxy)-propyl]-methyl-amine
CID 44359185
N-[2-(4-chlorophenyl)ethyl]-2-[(6-methoxy-2,2-dimethyl-3,4-dihydro-2H-chromen-4-yl)thio]acetamide
CID 15945501
4-[2-[(4-chlorophenyl)methyl]phenoxy]-N-methylbutan-1-amine;hydrochloride
CID 12660362
N-{2-[(4-chlorobenzyl)oxy]benzyl}propan-2-amine
CID 17155664
Foxm1-IN-1
CID 166177028

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-[(4-chlorophenyl)methoxy]-2-ethyl-3,4-dihydrochromen-2-yl]ethyl]cyclobutanamine?
The IUPAC name of N-[2-[6-[(4-chlorophenyl)methoxy]-2-ethyl-3,4-dihydrochromen-2-yl]ethyl]cyclobutanamine (CID 143841724) is N-[2-[6-[(4-chlorophenyl)methoxy]-2-ethyl-3,4-dihydrochromen-2-yl]ethyl]cyclobutanamine.
What is the SMILES notation for N-[2-[6-[(4-chlorophenyl)methoxy]-2-ethyl-3,4-dihydrochromen-2-yl]ethyl]cyclobutanamine?
The canonical SMILES for N-[2-[6-[(4-chlorophenyl)methoxy]-2-ethyl-3,4-dihydrochromen-2-yl]ethyl]cyclobutanamine is CCC1(CCNC2CCC2)CCc2cc(OCc3ccc(Cl)cc3)ccc2O1.
What is the InChIKey of N-[2-[6-[(4-chlorophenyl)methoxy]-2-ethyl-3,4-dihydrochromen-2-yl]ethyl]cyclobutanamine?
The InChIKey is POKPDOLIQNLMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClNO2/c1-2-24(14-15-26-21-4-3-5-21)13-12-19-16-22(10-11-23(19)28-24)27-17-18-6-8-20(25)9-7-18/h6-11,16,21,26H,2-5,12-15,17H2,1H3.
What are the key properties of N-[2-[6-[(4-chlorophenyl)methoxy]-2-ethyl-3,4-dihydrochromen-2-yl]ethyl]cyclobutanamine?
N-[2-[6-[(4-chlorophenyl)methoxy]-2-ethyl-3,4-dihydrochromen-2-yl]ethyl]cyclobutanamine has a molecular weight of 399.96 g/mol, XLogP of 5.93, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-[(4-chlorophenyl)methoxy]-2-ethyl-3,4-dihydrochromen-2-yl]ethyl]cyclobutanamine is sourced from PubChem (CID 143841724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).