4-chloro-2-methyl-6-(propylaminomethyl)phenol

C11H16ClNO — CID 115904498

IUPAC4-chloro-2-methyl-6-(propylaminomethyl)phenol
SMILESCCCNCc1cc(Cl)cc(C)c1O
InChIInChI=1S/C11H16ClNO/c1-3-4-13-7-9-6-10(12)5-8(2)11(9)14/h5-6,13-14H,3-4,7H2,1-2H3
InChIKeyVKFVGRKRPVIJNM-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.85
Rot. Bonds4

About 4-chloro-2-methyl-6-(propylaminomethyl)phenol

4-chloro-2-methyl-6-(propylaminomethyl)phenol (PubChem CID 115904498) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 4-chloro-2-methyl-6-(propylaminomethyl)phenol.

Molecular Properties

Compound Name4-chloro-2-methyl-6-(propylaminomethyl)phenol
PubChem CID115904498
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name4-chloro-2-methyl-6-(propylaminomethyl)phenol
SMILESCCCNCc1cc(Cl)cc(C)c1O
InChIInChI=1S/C11H16ClNO/c1-3-4-13-7-9-6-10(12)5-8(2)11(9)14/h5-6,13-14H,3-4,7H2,1-2H3
InChIKeyVKFVGRKRPVIJNM-UHFFFAOYSA-N
XLogP2.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-methyl-6-(methylaminomethyl)phenol
CID 115978288
4-chloro-2-nitro-6-(propylaminomethyl)phenol
CID 115602865
N-[[5-chloro-2-(2,6-difluoro-3-methylphenyl)phenyl]methyl]propan-1-amine
CID 82803406
2-(aminomethyl)-4-chloro-6-methylphenol
CID 12652125
acetic acid;2,4-dichloro-6-[[2-[(3,5-dichloro-2-hydroxyphenyl)methylamino]ethylamino]methyl]phenol
CID 70616535
N-[(3,5-dichloro-2-pentoxyphenyl)methyl]propan-1-amine
CID 43515784
3-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylamino]-N-propylpropanamide
CID 104646157
N-[(6-chloro-8-methyl-2-propan-2-ylquinolin-4-yl)methyl]propan-1-amine
CID 82449604
4-bromo-2-(ethylaminomethyl)-6-methylphenol
CID 112553820
N-[[4-(4-chloro-2,6-dimethylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81253689
2,4-dichloro-6-[[(3-methyl-4-pyridinyl)methylamino]methyl]phenol
CID 114698958
N-[2-[(3,5-dichloro-2-hydroxyphenyl)methylamino]ethyl]acetamide
CID 28684903

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-6-(propylaminomethyl)phenol?
The IUPAC name of 4-chloro-2-methyl-6-(propylaminomethyl)phenol (CID 115904498) is 4-chloro-2-methyl-6-(propylaminomethyl)phenol.
What is the SMILES notation for 4-chloro-2-methyl-6-(propylaminomethyl)phenol?
The canonical SMILES for 4-chloro-2-methyl-6-(propylaminomethyl)phenol is CCCNCc1cc(Cl)cc(C)c1O.
What is the InChIKey of 4-chloro-2-methyl-6-(propylaminomethyl)phenol?
The InChIKey is VKFVGRKRPVIJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO/c1-3-4-13-7-9-6-10(12)5-8(2)11(9)14/h5-6,13-14H,3-4,7H2,1-2H3.
What are the key properties of 4-chloro-2-methyl-6-(propylaminomethyl)phenol?
4-chloro-2-methyl-6-(propylaminomethyl)phenol has a molecular weight of 213.71 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-6-(propylaminomethyl)phenol is sourced from PubChem (CID 115904498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).