4-chloro-2-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]phenol

C14H20ClNO — CID 103743359

IUPAC4-chloro-2-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]phenol
SMILESCC(C)C1(CNCc2cc(Cl)ccc2O)CC1
InChIInChI=1S/C14H20ClNO/c1-10(2)14(5-6-14)9-16-8-11-7-12(15)3-4-13(11)17/h3-4,7,10,16-17H,5-6,8-9H2,1-2H3
InChIKeyDKZPJOOGZKHSDA-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.57
Rot. Bonds5

About 4-chloro-2-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]phenol

4-chloro-2-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]phenol (PubChem CID 103743359) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 4-chloro-2-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]phenol
PubChem CID103743359
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name4-chloro-2-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]phenol
SMILESCC(C)C1(CNCc2cc(Cl)ccc2O)CC1
InChIInChI=1S/C14H20ClNO/c1-10(2)14(5-6-14)9-16-8-11-7-12(15)3-4-13(11)17/h3-4,7,10,16-17H,5-6,8-9H2,1-2H3
InChIKeyDKZPJOOGZKHSDA-UHFFFAOYSA-N
XLogP3.57
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-methyl-2-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]phenol
CID 103743423
4-chloro-2-[(2-hydroxypropylamino)methyl]phenol
CID 43499358
2-chloro-6-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]phenol
CID 113352473
4-chloro-2-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]phenol
CID 62636256
2-[(4-aminobutylamino)methyl]-4-chlorophenol
CID 60894703
4-chloro-2-[[[1-(hydroxymethyl)cyclobutyl]amino]methyl]phenol
CID 115733344
4-chloro-2-[(3-propan-2-yloxypropylamino)methyl]phenol
CID 28726847
4-chloro-2-[[(2-hydroxy-2,4-dimethylpentyl)amino]methyl]phenol
CID 66179486
4-chloro-2-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]phenol
CID 115763018
2-(butylaminomethyl)-4-chlorophenol;hydrochloride
CID 134107366
4-chloro-2-[[2-(2-hydroxyethylamino)ethylamino]methyl]phenol
CID 139241738
4-chloro-2-[(cyclohexylmethylamino)methyl]phenol
CID 25163929

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]phenol?
The IUPAC name of 4-chloro-2-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]phenol (CID 103743359) is 4-chloro-2-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]phenol.
What is the SMILES notation for 4-chloro-2-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]phenol?
The canonical SMILES for 4-chloro-2-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]phenol is CC(C)C1(CNCc2cc(Cl)ccc2O)CC1.
What is the InChIKey of 4-chloro-2-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]phenol?
The InChIKey is DKZPJOOGZKHSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-10(2)14(5-6-14)9-16-8-11-7-12(15)3-4-13(11)17/h3-4,7,10,16-17H,5-6,8-9H2,1-2H3.
What are the key properties of 4-chloro-2-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]phenol?
4-chloro-2-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]phenol has a molecular weight of 253.77 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]phenol is sourced from PubChem (CID 103743359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).