N-[(3,5-dichloro-2-methoxyphenyl)methyl]cyclobutanamine

C12H15Cl2NO — CID 82500447

IUPACN-[(3,5-dichloro-2-methoxyphenyl)methyl]cyclobutanamine
SMILESCOc1c(Cl)cc(Cl)cc1CNC1CCC1
InChIInChI=1S/C12H15Cl2NO/c1-16-12-8(5-9(13)6-11(12)14)7-15-10-3-2-4-10/h5-6,10,15H,2-4,7H2,1H3
InChIKeyVCQCWDSBOXOLRK-UHFFFAOYSA-N
MW260.16 g/mol
LogP3.64
Rot. Bonds4

About N-[(3,5-dichloro-2-methoxyphenyl)methyl]cyclobutanamine

N-[(3,5-dichloro-2-methoxyphenyl)methyl]cyclobutanamine (PubChem CID 82500447) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is N-[(3,5-dichloro-2-methoxyphenyl)methyl]cyclobutanamine.

Molecular Properties

Compound NameN-[(3,5-dichloro-2-methoxyphenyl)methyl]cyclobutanamine
PubChem CID82500447
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC NameN-[(3,5-dichloro-2-methoxyphenyl)methyl]cyclobutanamine
SMILESCOc1c(Cl)cc(Cl)cc1CNC1CCC1
InChIInChI=1S/C12H15Cl2NO/c1-16-12-8(5-9(13)6-11(12)14)7-15-10-3-2-4-10/h5-6,10,15H,2-4,7H2,1H3
InChIKeyVCQCWDSBOXOLRK-UHFFFAOYSA-N
XLogP3.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,5-dichloro-2-methoxyphenyl)methyl]cyclobutanecarboxamide
CID 110782988
N-[(3,5-dichloro-2-pentoxyphenyl)methyl]cyclopropanamine
CID 43515859
2,4-dichloro-6-[(cyclobutylamino)methyl]phenol
CID 62416291
methyl 3-[2,4-dichloro-6-[(cyclopropylamino)methyl]phenoxy]propanoate
CID 63947658
N-[[3,5-dichloro-2-(3-methoxy-3-methylbutoxy)phenyl]methyl]cyclopropanamine
CID 103032725
1-(3,5-dichloro-2-methoxyphenyl)-N-methoxymethanamine
CID 117344115
N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]cycloheptanamine
CID 35697968
N-[(3,5-dichloro-2-methoxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride
CID 17290026
N-[[3,5-dichloro-2-(2-chloroprop-2-enoxy)phenyl]methyl]cyclopropanamine
CID 60889636
N-[(3,5-dichloro-2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 17158941
N-[(5-chloro-3-methoxy-2-prop-2-enoxyphenyl)methyl]cyclopentanamine
CID 2238645
5-[2,4-dichloro-6-[(cyclopropylamino)methyl]phenoxy]pentan-1-ol
CID 62227671

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichloro-2-methoxyphenyl)methyl]cyclobutanamine?
The IUPAC name of N-[(3,5-dichloro-2-methoxyphenyl)methyl]cyclobutanamine (CID 82500447) is N-[(3,5-dichloro-2-methoxyphenyl)methyl]cyclobutanamine.
What is the SMILES notation for N-[(3,5-dichloro-2-methoxyphenyl)methyl]cyclobutanamine?
The canonical SMILES for N-[(3,5-dichloro-2-methoxyphenyl)methyl]cyclobutanamine is COc1c(Cl)cc(Cl)cc1CNC1CCC1.
What is the InChIKey of N-[(3,5-dichloro-2-methoxyphenyl)methyl]cyclobutanamine?
The InChIKey is VCQCWDSBOXOLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c1-16-12-8(5-9(13)6-11(12)14)7-15-10-3-2-4-10/h5-6,10,15H,2-4,7H2,1H3.
What are the key properties of N-[(3,5-dichloro-2-methoxyphenyl)methyl]cyclobutanamine?
N-[(3,5-dichloro-2-methoxyphenyl)methyl]cyclobutanamine has a molecular weight of 260.16 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichloro-2-methoxyphenyl)methyl]cyclobutanamine is sourced from PubChem (CID 82500447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).