2-(3-aminopropyl)-4-chloro-6-methoxy-3,5-dimethylphenol

C12H18ClNO2 — CID 117361456

IUPAC2-(3-aminopropyl)-4-chloro-6-methoxy-3,5-dimethylphenol
SMILESCOc1c(C)c(Cl)c(C)c(CCCN)c1O
InChIInChI=1S/C12H18ClNO2/c1-7-9(5-4-6-14)11(15)12(16-3)8(2)10(7)13/h15H,4-6,14H2,1-3H3
InChIKeyIMHMSLJXHMYASA-UHFFFAOYSA-N
MW243.73 g/mol
LogP2.56
Rot. Bonds4

About 2-(3-aminopropyl)-4-chloro-6-methoxy-3,5-dimethylphenol

2-(3-aminopropyl)-4-chloro-6-methoxy-3,5-dimethylphenol (PubChem CID 117361456) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is 2-(3-aminopropyl)-4-chloro-6-methoxy-3,5-dimethylphenol.

Molecular Properties

Compound Name2-(3-aminopropyl)-4-chloro-6-methoxy-3,5-dimethylphenol
PubChem CID117361456
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name2-(3-aminopropyl)-4-chloro-6-methoxy-3,5-dimethylphenol
SMILESCOc1c(C)c(Cl)c(C)c(CCCN)c1O
InChIInChI=1S/C12H18ClNO2/c1-7-9(5-4-6-14)11(15)12(16-3)8(2)10(7)13/h15H,4-6,14H2,1-3H3
InChIKeyIMHMSLJXHMYASA-UHFFFAOYSA-N
XLogP2.56
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-chloro-2-hydroxy-3-methoxy-4,6-dimethylphenyl)propanoic acid
CID 117400395
4-chloro-2-methoxy-6-[(methoxyamino)methyl]-3,5-dimethylphenol
CID 117366782
4-chloro-2-methoxy-3,5-dimethyl-6-(piperazin-1-ylmethyl)phenol
CID 117458546
3-(3-chloro-2-methoxy-4,6-dimethylphenyl)propan-1-amine
CID 117328034
3-(5-chloro-2,3-dimethoxy-6-methylphenyl)propan-1-amine
CID 117361452
3-(2-chloro-5,6-dimethoxy-3-methylphenyl)propan-1-amine
CID 117361455
3-(4-chloro-2,3-dimethoxy-6-methylphenyl)propan-1-amine
CID 117361457
2-amino-3-chloro-5-methoxy-4,6-dimethylphenol
CID 84670347
3-(6-chloro-2,3-dimethoxyphenyl)propan-1-amine
CID 117331594
3-(2-chloro-3,6-dimethoxyphenyl)propan-1-amine
CID 84793335
4-(6-chloro-3-methoxy-2,4-dimethylphenyl)butan-1-amine
CID 117356666
2-(5-chloro-2-hydroxy-3-methoxy-4,6-dimethylphenyl)-2-hydroxyacetic acid
CID 117406019

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropyl)-4-chloro-6-methoxy-3,5-dimethylphenol?
The IUPAC name of 2-(3-aminopropyl)-4-chloro-6-methoxy-3,5-dimethylphenol (CID 117361456) is 2-(3-aminopropyl)-4-chloro-6-methoxy-3,5-dimethylphenol.
What is the SMILES notation for 2-(3-aminopropyl)-4-chloro-6-methoxy-3,5-dimethylphenol?
The canonical SMILES for 2-(3-aminopropyl)-4-chloro-6-methoxy-3,5-dimethylphenol is COc1c(C)c(Cl)c(C)c(CCCN)c1O.
What is the InChIKey of 2-(3-aminopropyl)-4-chloro-6-methoxy-3,5-dimethylphenol?
The InChIKey is IMHMSLJXHMYASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO2/c1-7-9(5-4-6-14)11(15)12(16-3)8(2)10(7)13/h15H,4-6,14H2,1-3H3.
What are the key properties of 2-(3-aminopropyl)-4-chloro-6-methoxy-3,5-dimethylphenol?
2-(3-aminopropyl)-4-chloro-6-methoxy-3,5-dimethylphenol has a molecular weight of 243.73 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropyl)-4-chloro-6-methoxy-3,5-dimethylphenol is sourced from PubChem (CID 117361456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).