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

C11H14ClNO — CID 62396541

IUPAC2-chloro-4-[[(2-methylcyclopropyl)amino]methyl]phenol
SMILESCC1CC1NCc1ccc(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
InChIKeyXIRVGHMFJTUSRG-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.54
Rot. Bonds3

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

2-chloro-4-[[(2-methylcyclopropyl)amino]methyl]phenol (PubChem CID 62396541) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 2-chloro-4-[[(2-methylcyclopropyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-chloro-4-[[(2-methylcyclopropyl)amino]methyl]phenol
PubChem CID62396541
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name2-chloro-4-[[(2-methylcyclopropyl)amino]methyl]phenol
SMILESCC1CC1NCc1ccc(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
InChIKeyXIRVGHMFJTUSRG-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[(2-methylcyclopropyl)amino]methyl]phenol?
The IUPAC name of 2-chloro-4-[[(2-methylcyclopropyl)amino]methyl]phenol (CID 62396541) is 2-chloro-4-[[(2-methylcyclopropyl)amino]methyl]phenol.
What is the SMILES notation for 2-chloro-4-[[(2-methylcyclopropyl)amino]methyl]phenol?
The canonical SMILES for 2-chloro-4-[[(2-methylcyclopropyl)amino]methyl]phenol is CC1CC1NCc1ccc(O)c(Cl)c1.
What is the InChIKey of 2-chloro-4-[[(2-methylcyclopropyl)amino]methyl]phenol?
The InChIKey is XIRVGHMFJTUSRG-UHFFFAOYSA-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.
What are the key properties of 2-chloro-4-[[(2-methylcyclopropyl)amino]methyl]phenol?
2-chloro-4-[[(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-[[(2-methylcyclopropyl)amino]methyl]phenol is sourced from PubChem (CID 62396541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).