2-chloro-4-[[[(1R,2R)-2-methylcyclopropyl]amino]methyl]phenol

C11H14ClNO — CID 94428869

IUPAC2-chloro-4-[[[(1R,2R)-2-methylcyclopropyl]amino]methyl]phenol
SMILESC[C@@H]1C[C@H]1NCc1ccc(O)c(Cl)c1
InChIInChI=1S/C11H14ClNO/c1-7-4-10(7)13-6-8-2-3-11(14)9(12)5-8/h2-3,5,7,10,13-14H,4,6H2,1H3/t7-,10-/m1/s1
InChIKeyXIRVGHMFJTUSRG-GMSGAONNSA-N
MW211.69 g/mol
LogP2.54
Rot. Bonds3

About 2-chloro-4-[[[(1R,2R)-2-methylcyclopropyl]amino]methyl]phenol

2-chloro-4-[[[(1R,2R)-2-methylcyclopropyl]amino]methyl]phenol (PubChem CID 94428869) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 2-chloro-4-[[[(1R,2R)-2-methylcyclopropyl]amino]methyl]phenol.

Molecular Properties

Compound Name2-chloro-4-[[[(1R,2R)-2-methylcyclopropyl]amino]methyl]phenol
PubChem CID94428869
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name2-chloro-4-[[[(1R,2R)-2-methylcyclopropyl]amino]methyl]phenol
SMILESC[C@@H]1C[C@H]1NCc1ccc(O)c(Cl)c1
InChIInChI=1S/C11H14ClNO/c1-7-4-10(7)13-6-8-2-3-11(14)9(12)5-8/h2-3,5,7,10,13-14H,4,6H2,1H3/t7-,10-/m1/s1
InChIKeyXIRVGHMFJTUSRG-GMSGAONNSA-N
XLogP2.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-[[(2-methylcyclopropyl)amino]methyl]phenol
CID 62396541
2-chloro-4-[[(2-cyclopropyloxolan-3-yl)amino]methyl]phenol
CID 103864542
2,6-dichloro-4-[[(2-methylcyclopropyl)amino]methyl]aniline
CID 82840616
2-chloro-4-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]phenol
CID 83006911
N-[(3,4-difluorophenyl)methyl]-2-methylcyclopropan-1-amine
CID 62396100
2-methyl-4-[[(2-methylcyclopropyl)amino]methyl]aniline
CID 62408815
2-chloro-4-(hydrazinylmethyl)phenol
CID 45120147
4-[[[(2R)-2-[(3,4-dihydroxyphenyl)methylamino]cyclohexyl]amino]methyl]benzene-1,2-diol
CID 24750954
2-chloro-4-[(2,2-dimethylhydrazinyl)methyl]phenol
CID 83003612
3-[(3-chloro-4-hydroxyphenyl)methylamino]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 65069500
2-chloro-4-[(oxan-3-ylamino)methyl]phenol
CID 63363487
2-chloro-4-[(2-cyclopropylpropan-2-ylamino)methyl]phenol
CID 103700269

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[[(1R,2R)-2-methylcyclopropyl]amino]methyl]phenol?
The IUPAC name of 2-chloro-4-[[[(1R,2R)-2-methylcyclopropyl]amino]methyl]phenol (CID 94428869) is 2-chloro-4-[[[(1R,2R)-2-methylcyclopropyl]amino]methyl]phenol.
What is the SMILES notation for 2-chloro-4-[[[(1R,2R)-2-methylcyclopropyl]amino]methyl]phenol?
The canonical SMILES for 2-chloro-4-[[[(1R,2R)-2-methylcyclopropyl]amino]methyl]phenol is C[C@@H]1C[C@H]1NCc1ccc(O)c(Cl)c1.
What is the InChIKey of 2-chloro-4-[[[(1R,2R)-2-methylcyclopropyl]amino]methyl]phenol?
The InChIKey is XIRVGHMFJTUSRG-GMSGAONNSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-7-4-10(7)13-6-8-2-3-11(14)9(12)5-8/h2-3,5,7,10,13-14H,4,6H2,1H3/t7-,10-/m1/s1.
What are the key properties of 2-chloro-4-[[[(1R,2R)-2-methylcyclopropyl]amino]methyl]phenol?
2-chloro-4-[[[(1R,2R)-2-methylcyclopropyl]amino]methyl]phenol has a molecular weight of 211.69 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[[(1R,2R)-2-methylcyclopropyl]amino]methyl]phenol is sourced from PubChem (CID 94428869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).