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

C11H16ClNO — CID 117304826

IUPAC4-(2-aminopropyl)-2-chloro-3,5-dimethylphenol
SMILESCc1cc(O)c(Cl)c(C)c1CC(C)N
InChIInChI=1S/C11H16ClNO/c1-6-4-10(14)11(12)8(3)9(6)5-7(2)13/h4,7,14H,5,13H2,1-3H3
InChIKeyPJZWVPCWTCJMBT-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.55
Rot. Bonds2

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

4-(2-aminopropyl)-2-chloro-3,5-dimethylphenol (PubChem CID 117304826) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 4-(2-aminopropyl)-2-chloro-3,5-dimethylphenol.

Molecular Properties

Compound Name4-(2-aminopropyl)-2-chloro-3,5-dimethylphenol
PubChem CID117304826
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name4-(2-aminopropyl)-2-chloro-3,5-dimethylphenol
SMILESCc1cc(O)c(Cl)c(C)c1CC(C)N
InChIInChI=1S/C11H16ClNO/c1-6-4-10(14)11(12)8(3)9(6)5-7(2)13/h4,7,14H,5,13H2,1-3H3
InChIKeyPJZWVPCWTCJMBT-UHFFFAOYSA-N
XLogP2.55
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-aminopropyl)-2,3,5-trimethylphenol
CID 117111308
4-(2-aminopropyl)-3-chloro-5-methylbenzene-1,2-diol
CID 117307437
2-chloro-4-(3-hydroxypropyl)-3,5-dimethylphenol
CID 117305989
3-(2-aminopropyl)-2-chloro-5-methylphenol
CID 117288920
2-(2-aminopropyl)-4-chloro-3-methylphenol
CID 117288922
2-amino-1-(3-chloro-4-hydroxy-2,6-dimethylphenyl)propan-1-one
CID 84691459
1-[4-(2-aminopropyl)-2,3,5,6-tetrachlorophenyl]propan-2-amine
CID 170864520
1-(3-bromo-4-fluoro-2,6-dimethylphenyl)propan-2-amine
CID 130980809
2-(2-aminopropyl)-4-bromo-3,6-dimethylphenol
CID 117398502
ethyl 2-(3-chloro-4-hydroxy-2,6-dimethylphenyl)-2-hydroxyacetate
CID 117400438
1-(4-chloro-2,3-dimethoxy-6-methylphenyl)propan-2-amine
CID 117361507
3-(2-aminopropyl)-4-chloro-5-fluoro-2-methoxyphenol
CID 117339610

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropyl)-2-chloro-3,5-dimethylphenol?
The IUPAC name of 4-(2-aminopropyl)-2-chloro-3,5-dimethylphenol (CID 117304826) is 4-(2-aminopropyl)-2-chloro-3,5-dimethylphenol.
What is the SMILES notation for 4-(2-aminopropyl)-2-chloro-3,5-dimethylphenol?
The canonical SMILES for 4-(2-aminopropyl)-2-chloro-3,5-dimethylphenol is Cc1cc(O)c(Cl)c(C)c1CC(C)N.
What is the InChIKey of 4-(2-aminopropyl)-2-chloro-3,5-dimethylphenol?
The InChIKey is PJZWVPCWTCJMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO/c1-6-4-10(14)11(12)8(3)9(6)5-7(2)13/h4,7,14H,5,13H2,1-3H3.
What are the key properties of 4-(2-aminopropyl)-2-chloro-3,5-dimethylphenol?
4-(2-aminopropyl)-2-chloro-3,5-dimethylphenol has a molecular weight of 213.71 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropyl)-2-chloro-3,5-dimethylphenol is sourced from PubChem (CID 117304826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).