[1-[(3,4-dichlorophenyl)methylamino]cyclopropyl]methanol

C11H13Cl2NO — CID 115763060

IUPAC[1-[(3,4-dichlorophenyl)methylamino]cyclopropyl]methanol
SMILESOCC1(NCc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C11H13Cl2NO/c12-9-2-1-8(5-10(9)13)6-14-11(7-15)3-4-11/h1-2,5,14-15H,3-4,6-7H2
InChIKeyDMECFPSIIPIIIL-UHFFFAOYSA-N
MW246.14 g/mol
LogP2.61
Rot. Bonds4

About [1-[(3,4-dichlorophenyl)methylamino]cyclopropyl]methanol

[1-[(3,4-dichlorophenyl)methylamino]cyclopropyl]methanol (PubChem CID 115763060) has the molecular formula C11H13Cl2NO and a molecular weight of 246.14 g/mol. Its IUPAC name is [1-[(3,4-dichlorophenyl)methylamino]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[(3,4-dichlorophenyl)methylamino]cyclopropyl]methanol
PubChem CID115763060
Molecular FormulaC11H13Cl2NO
Molecular Weight246.14 g/mol
Exact Mass245.04
IUPAC Name[1-[(3,4-dichlorophenyl)methylamino]cyclopropyl]methanol
SMILESOCC1(NCc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C11H13Cl2NO/c12-9-2-1-8(5-10(9)13)6-14-11(7-15)3-4-11/h1-2,5,14-15H,3-4,6-7H2
InChIKeyDMECFPSIIPIIIL-UHFFFAOYSA-N
XLogP2.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.14
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(3-bromo-4-chlorophenyl)methylamino]cyclobutyl]methanol
CID 115909414
[1-[(3,4-dimethylphenyl)methylamino]cyclobutyl]methanol
CID 115733318
2-[(3,4-dichlorophenyl)methylamino]propane-1,3-diol
CID 65315014
[4-[(4-bromo-3-methylphenyl)methylamino]oxan-4-yl]methanol
CID 71984686
[1-[(3-fluoro-4-methylphenyl)methylamino]cyclopentyl]methanol
CID 63645721
[1-[(4-ethylphenyl)methylamino]cyclopentyl]methanol
CID 62524121
4-chloro-2-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]phenol
CID 115763018
[1-(quinolin-6-ylmethylamino)cyclobutyl]methanol
CID 113263671
[1-[(4-fluoro-3-methylphenyl)methylamino]cyclohexyl]methanol
CID 62521694
[1-[(2-chloro-3-pyridinyl)methylamino]cyclopropyl]methanol
CID 115762962
[1-[(4-chloro-2-methylphenyl)methylamino]cyclopropyl]methanol
CID 86815624
[1-[(2,6-dichlorophenyl)methylamino]cyclohexyl]methanol
CID 62520254

Frequently Asked Questions

What is the IUPAC name of [1-[(3,4-dichlorophenyl)methylamino]cyclopropyl]methanol?
The IUPAC name of [1-[(3,4-dichlorophenyl)methylamino]cyclopropyl]methanol (CID 115763060) is [1-[(3,4-dichlorophenyl)methylamino]cyclopropyl]methanol.
What is the SMILES notation for [1-[(3,4-dichlorophenyl)methylamino]cyclopropyl]methanol?
The canonical SMILES for [1-[(3,4-dichlorophenyl)methylamino]cyclopropyl]methanol is OCC1(NCc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of [1-[(3,4-dichlorophenyl)methylamino]cyclopropyl]methanol?
The InChIKey is DMECFPSIIPIIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO/c12-9-2-1-8(5-10(9)13)6-14-11(7-15)3-4-11/h1-2,5,14-15H,3-4,6-7H2.
What are the key properties of [1-[(3,4-dichlorophenyl)methylamino]cyclopropyl]methanol?
[1-[(3,4-dichlorophenyl)methylamino]cyclopropyl]methanol has a molecular weight of 246.14 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3,4-dichlorophenyl)methylamino]cyclopropyl]methanol is sourced from PubChem (CID 115763060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).