N-[1-(3,4-dichlorophenyl)ethyl]-3-methoxycyclobutan-1-amine

C13H17Cl2NO — CID 113429583

IUPACN-[1-(3,4-dichlorophenyl)ethyl]-3-methoxycyclobutan-1-amine
SMILESCOC1CC(NC(C)c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C13H17Cl2NO/c1-8(16-10-6-11(7-10)17-2)9-3-4-12(14)13(15)5-9/h3-5,8,10-11,16H,6-7H2,1-2H3
InChIKeyRMDRBNVKUZTAQU-UHFFFAOYSA-N
MW274.19 g/mol
LogP3.82
Rot. Bonds4

About N-[1-(3,4-dichlorophenyl)ethyl]-3-methoxycyclobutan-1-amine

N-[1-(3,4-dichlorophenyl)ethyl]-3-methoxycyclobutan-1-amine (PubChem CID 113429583) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is N-[1-(3,4-dichlorophenyl)ethyl]-3-methoxycyclobutan-1-amine.

Molecular Properties

Compound NameN-[1-(3,4-dichlorophenyl)ethyl]-3-methoxycyclobutan-1-amine
PubChem CID113429583
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC NameN-[1-(3,4-dichlorophenyl)ethyl]-3-methoxycyclobutan-1-amine
SMILESCOC1CC(NC(C)c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C13H17Cl2NO/c1-8(16-10-6-11(7-10)17-2)9-3-4-12(14)13(15)5-9/h3-5,8,10-11,16H,6-7H2,1-2H3
InChIKeyRMDRBNVKUZTAQU-UHFFFAOYSA-N
XLogP3.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]cyclobutan-1-amine
CID 106821544
N-[1-(3,4-dichlorophenyl)ethyl]cyclohexanamine
CID 43078885
N-[1-(3,5-difluorophenyl)ethyl]-3-methoxycyclobutan-1-amine
CID 113429569
N-[1-(4-iodophenyl)ethyl]-3-methoxycyclobutan-1-amine
CID 104584402
N-[1-(3,4-dichlorophenyl)ethyl]-3-propan-2-ylcyclohexan-1-amine
CID 107447869
N-[1-(3,4-dichlorophenyl)ethyl]oxan-4-amine
CID 43608497
N-[1-(3,4-dichlorophenyl)ethyl]thian-4-amine
CID 43394908
N-[1-(3,4-dichlorophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 43223783
N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3-methoxycyclobutan-1-amine
CID 104584504
N-[1-(3,4-dichlorophenyl)ethyl]-1,1-dioxothiolan-3-amine
CID 43082206
6-[1-[(3-methoxycyclobutyl)amino]ethyl]-4H-1,4-benzoxazin-3-one
CID 104871419
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-methoxycyclohexan-1-amine
CID 113414414

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dichlorophenyl)ethyl]-3-methoxycyclobutan-1-amine?
The IUPAC name of N-[1-(3,4-dichlorophenyl)ethyl]-3-methoxycyclobutan-1-amine (CID 113429583) is N-[1-(3,4-dichlorophenyl)ethyl]-3-methoxycyclobutan-1-amine.
What is the SMILES notation for N-[1-(3,4-dichlorophenyl)ethyl]-3-methoxycyclobutan-1-amine?
The canonical SMILES for N-[1-(3,4-dichlorophenyl)ethyl]-3-methoxycyclobutan-1-amine is COC1CC(NC(C)c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of N-[1-(3,4-dichlorophenyl)ethyl]-3-methoxycyclobutan-1-amine?
The InChIKey is RMDRBNVKUZTAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c1-8(16-10-6-11(7-10)17-2)9-3-4-12(14)13(15)5-9/h3-5,8,10-11,16H,6-7H2,1-2H3.
What are the key properties of N-[1-(3,4-dichlorophenyl)ethyl]-3-methoxycyclobutan-1-amine?
N-[1-(3,4-dichlorophenyl)ethyl]-3-methoxycyclobutan-1-amine has a molecular weight of 274.19 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dichlorophenyl)ethyl]-3-methoxycyclobutan-1-amine is sourced from PubChem (CID 113429583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).