3-[[(2,4-dichlorophenyl)methylamino]methyl]cyclobutan-1-ol

C12H15Cl2NO — CID 66005122

IUPAC3-[[(2,4-dichlorophenyl)methylamino]methyl]cyclobutan-1-ol
SMILESOC1CC(CNCc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C12H15Cl2NO/c13-10-2-1-9(12(14)5-10)7-15-6-8-3-11(16)4-8/h1-2,5,8,11,15-16H,3-4,6-7H2
InChIKeyNXZFZONESCNSCO-UHFFFAOYSA-N
MW260.16 g/mol
LogP2.85
Rot. Bonds4

About 3-[[(2,4-dichlorophenyl)methylamino]methyl]cyclobutan-1-ol

3-[[(2,4-dichlorophenyl)methylamino]methyl]cyclobutan-1-ol (PubChem CID 66005122) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is 3-[[(2,4-dichlorophenyl)methylamino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[(2,4-dichlorophenyl)methylamino]methyl]cyclobutan-1-ol
PubChem CID66005122
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC Name3-[[(2,4-dichlorophenyl)methylamino]methyl]cyclobutan-1-ol
SMILESOC1CC(CNCc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C12H15Cl2NO/c13-10-2-1-9(12(14)5-10)7-15-6-8-3-11(16)4-8/h1-2,5,8,11,15-16H,3-4,6-7H2
InChIKeyNXZFZONESCNSCO-UHFFFAOYSA-N
XLogP2.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(2,4-dichlorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699917
1-cyclopentyl-N-[(2,4-dichlorophenyl)methyl]methanamine
CID 43317354
N-[(2,4-dichlorophenyl)methyl]-1-[3-[[(2,4-dichlorophenyl)methylamino]methyl]cyclohexyl]methanamine;hexahydrochloride
CID 90665221
2,4-dichloro-6-[[(3-hydroxycyclobutyl)methylamino]methyl]phenol
CID 66004538
4-chloro-2-[[(3-hydroxycyclopentyl)methylamino]methyl]phenol
CID 103270835
4-[[(4-chloro-2-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 114147064
3-chloro-4-[[(3-hydroxycyclopentyl)methylamino]methyl]benzonitrile
CID 106129842
N-[(2,4-dichlorophenyl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine
CID 60856676
N-[(2,4-dichlorophenyl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine
CID 61207914
2-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine
CID 17209606
N-[(4-chloro-2-methylphenyl)methyl]-1-cyclopropylmethanamine
CID 104853922
N-cyclopropyl-3-[(2,4-dichlorophenyl)methylamino]propanamide
CID 78978000

Frequently Asked Questions

What is the IUPAC name of 3-[[(2,4-dichlorophenyl)methylamino]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[(2,4-dichlorophenyl)methylamino]methyl]cyclobutan-1-ol (CID 66005122) is 3-[[(2,4-dichlorophenyl)methylamino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[(2,4-dichlorophenyl)methylamino]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[(2,4-dichlorophenyl)methylamino]methyl]cyclobutan-1-ol is OC1CC(CNCc2ccc(Cl)cc2Cl)C1.
What is the InChIKey of 3-[[(2,4-dichlorophenyl)methylamino]methyl]cyclobutan-1-ol?
The InChIKey is NXZFZONESCNSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c13-10-2-1-9(12(14)5-10)7-15-6-8-3-11(16)4-8/h1-2,5,8,11,15-16H,3-4,6-7H2.
What are the key properties of 3-[[(2,4-dichlorophenyl)methylamino]methyl]cyclobutan-1-ol?
3-[[(2,4-dichlorophenyl)methylamino]methyl]cyclobutan-1-ol has a molecular weight of 260.16 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2,4-dichlorophenyl)methylamino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 66005122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).