2-chloro-4-[(2-cyclopropylpropan-2-ylamino)methyl]phenol

C13H18ClNO — CID 103700269

IUPAC2-chloro-4-[(2-cyclopropylpropan-2-ylamino)methyl]phenol
SMILESCC(C)(NCc1ccc(O)c(Cl)c1)C1CC1
InChIInChI=1S/C13H18ClNO/c1-13(2,10-4-5-10)15-8-9-3-6-12(16)11(14)7-9/h3,6-7,10,15-16H,4-5,8H2,1-2H3
InChIKeyRZTDXZGLCPYAAX-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.32
Rot. Bonds4

About 2-chloro-4-[(2-cyclopropylpropan-2-ylamino)methyl]phenol

2-chloro-4-[(2-cyclopropylpropan-2-ylamino)methyl]phenol (PubChem CID 103700269) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 2-chloro-4-[(2-cyclopropylpropan-2-ylamino)methyl]phenol.

Molecular Properties

Compound Name2-chloro-4-[(2-cyclopropylpropan-2-ylamino)methyl]phenol
PubChem CID103700269
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name2-chloro-4-[(2-cyclopropylpropan-2-ylamino)methyl]phenol
SMILESCC(C)(NCc1ccc(O)c(Cl)c1)C1CC1
InChIInChI=1S/C13H18ClNO/c1-13(2,10-4-5-10)15-8-9-3-6-12(16)11(14)7-9/h3,6-7,10,15-16H,4-5,8H2,1-2H3
InChIKeyRZTDXZGLCPYAAX-UHFFFAOYSA-N
XLogP3.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.32
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-cyclopropylpropan-2-ylamino)methyl]phenol?
The IUPAC name of 2-chloro-4-[(2-cyclopropylpropan-2-ylamino)methyl]phenol (CID 103700269) is 2-chloro-4-[(2-cyclopropylpropan-2-ylamino)methyl]phenol.
What is the SMILES notation for 2-chloro-4-[(2-cyclopropylpropan-2-ylamino)methyl]phenol?
The canonical SMILES for 2-chloro-4-[(2-cyclopropylpropan-2-ylamino)methyl]phenol is CC(C)(NCc1ccc(O)c(Cl)c1)C1CC1.
What is the InChIKey of 2-chloro-4-[(2-cyclopropylpropan-2-ylamino)methyl]phenol?
The InChIKey is RZTDXZGLCPYAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-13(2,10-4-5-10)15-8-9-3-6-12(16)11(14)7-9/h3,6-7,10,15-16H,4-5,8H2,1-2H3.
What are the key properties of 2-chloro-4-[(2-cyclopropylpropan-2-ylamino)methyl]phenol?
2-chloro-4-[(2-cyclopropylpropan-2-ylamino)methyl]phenol has a molecular weight of 239.75 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(2-cyclopropylpropan-2-ylamino)methyl]phenol is sourced from PubChem (CID 103700269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).