4-chloro-2-methoxy-6-[[methyl(pentan-3-yl)amino]methyl]phenol

C14H22ClNO2 — CID 113436169

IUPAC4-chloro-2-methoxy-6-[[methyl(pentan-3-yl)amino]methyl]phenol
SMILESCCC(CC)N(C)Cc1cc(Cl)cc(OC)c1O
InChIInChI=1S/C14H22ClNO2/c1-5-12(6-2)16(3)9-10-7-11(15)8-13(18-4)14(10)17/h7-8,12,17H,5-6,9H2,1-4H3
InChIKeyKDRXHGFWLWMWGM-UHFFFAOYSA-N
MW271.79 g/mol
LogP3.67
Rot. Bonds6

About 4-chloro-2-methoxy-6-[[methyl(pentan-3-yl)amino]methyl]phenol

4-chloro-2-methoxy-6-[[methyl(pentan-3-yl)amino]methyl]phenol (PubChem CID 113436169) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is 4-chloro-2-methoxy-6-[[methyl(pentan-3-yl)amino]methyl]phenol.

Molecular Properties

Compound Name4-chloro-2-methoxy-6-[[methyl(pentan-3-yl)amino]methyl]phenol
PubChem CID113436169
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC Name4-chloro-2-methoxy-6-[[methyl(pentan-3-yl)amino]methyl]phenol
SMILESCCC(CC)N(C)Cc1cc(Cl)cc(OC)c1O
InChIInChI=1S/C14H22ClNO2/c1-5-12(6-2)16(3)9-10-7-11(15)8-13(18-4)14(10)17/h7-8,12,17H,5-6,9H2,1-4H3
InChIKeyKDRXHGFWLWMWGM-UHFFFAOYSA-N
XLogP3.67
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-methoxy-4-[[methyl(pentan-3-yl)amino]methyl]phenol
CID 82976773
4-chloro-2-methoxy-6-[(N,3,5-trimethylanilino)methyl]phenol
CID 104667284
4-chloro-2-methoxy-6-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]phenol
CID 104643533
2-[carboxymethyl-[(5-chloro-2-hydroxy-3-methoxyphenyl)methyl]amino]acetic acid
CID 104667211
2-[(5-chloro-2-hydroxy-3-methoxyphenyl)methyl-methylamino]-N-ethylacetamide
CID 104643530
4-methoxy-2-[[methyl(pentan-3-yl)amino]methyl]phenol
CID 82977656
4-chloro-2-methoxy-6-[[methyl(oxan-4-yl)amino]methyl]phenol
CID 104643527
4-chloro-2-methoxy-6-[(3-methoxy-N-methylanilino)methyl]phenol
CID 104667268
2-[[(4-aminocyclohexyl)-ethylamino]methyl]-4-chloro-6-methoxyphenol
CID 104666546
4-chloro-2-methoxy-6-[[methyl(oxan-4-ylmethyl)amino]methyl]phenol
CID 104645244
4-chloro-2-[(N-ethyl-2-fluoroanilino)methyl]-6-methoxyphenol
CID 104667270
3-methoxy-4-[[methyl(pentan-3-yl)amino]methyl]aniline
CID 107208237

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methoxy-6-[[methyl(pentan-3-yl)amino]methyl]phenol?
The IUPAC name of 4-chloro-2-methoxy-6-[[methyl(pentan-3-yl)amino]methyl]phenol (CID 113436169) is 4-chloro-2-methoxy-6-[[methyl(pentan-3-yl)amino]methyl]phenol.
What is the SMILES notation for 4-chloro-2-methoxy-6-[[methyl(pentan-3-yl)amino]methyl]phenol?
The canonical SMILES for 4-chloro-2-methoxy-6-[[methyl(pentan-3-yl)amino]methyl]phenol is CCC(CC)N(C)Cc1cc(Cl)cc(OC)c1O.
What is the InChIKey of 4-chloro-2-methoxy-6-[[methyl(pentan-3-yl)amino]methyl]phenol?
The InChIKey is KDRXHGFWLWMWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2/c1-5-12(6-2)16(3)9-10-7-11(15)8-13(18-4)14(10)17/h7-8,12,17H,5-6,9H2,1-4H3.
What are the key properties of 4-chloro-2-methoxy-6-[[methyl(pentan-3-yl)amino]methyl]phenol?
4-chloro-2-methoxy-6-[[methyl(pentan-3-yl)amino]methyl]phenol has a molecular weight of 271.79 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methoxy-6-[[methyl(pentan-3-yl)amino]methyl]phenol is sourced from PubChem (CID 113436169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).