4-(3-aminopropyl)-2-chloro-6-methylphenol

C10H14ClNO — CID 84775581

IUPAC4-(3-aminopropyl)-2-chloro-6-methylphenol
SMILESCc1cc(CCCN)cc(Cl)c1O
InChIInChI=1S/C10H14ClNO/c1-7-5-8(3-2-4-12)6-9(11)10(7)13/h5-6,13H,2-4,12H2,1H3
InChIKeySMRSSCCQMPTJFC-UHFFFAOYSA-N
MW199.68 g/mol
LogP2.25
Rot. Bonds3

About 4-(3-aminopropyl)-2-chloro-6-methylphenol

4-(3-aminopropyl)-2-chloro-6-methylphenol (PubChem CID 84775581) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 4-(3-aminopropyl)-2-chloro-6-methylphenol.

Molecular Properties

Compound Name4-(3-aminopropyl)-2-chloro-6-methylphenol
PubChem CID84775581
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name4-(3-aminopropyl)-2-chloro-6-methylphenol
SMILESCc1cc(CCCN)cc(Cl)c1O
InChIInChI=1S/C10H14ClNO/c1-7-5-8(3-2-4-12)6-9(11)10(7)13/h5-6,13H,2-4,12H2,1H3
InChIKeySMRSSCCQMPTJFC-UHFFFAOYSA-N
XLogP2.25
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chloro-4-methoxy-5-methylphenyl)propan-1-amine
CID 84783186
4-(3-aminopropyl)-2-(difluoromethyl)-6-methylphenol
CID 117306626
3-(3-chloro-4-hydroxy-5-methylphenyl)propanenitrile
CID 84773803
4-(aminooxymethyl)-2-chloro-6-methylphenol
CID 117280928
4-(2-aminoethyl)-2,6-dichlorophenol;hydrochloride
CID 23071601
4-[6-(4-hydroxy-3,5-dimethylphenyl)hexyl]-2,6-dimethylphenol
CID 174910624
5-(3-aminopropyl)-3-chloro-2-fluorophenol
CID 84777602
2,6-dichloro-4-[2-(3,5-dichloro-4-hydroxyphenyl)ethyl]phenol
CID 22112154
2,6-dimethyl-4-pentylphenol
CID 22625507
3-(3-chloro-5-methylphenyl)propan-1-amine
CID 83696794
5-(3-aminopropyl)-2-chloro-4-methylphenol
CID 84775584
2,6-dimethyl-4-octadecylphenol
CID 66619575

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropyl)-2-chloro-6-methylphenol?
The IUPAC name of 4-(3-aminopropyl)-2-chloro-6-methylphenol (CID 84775581) is 4-(3-aminopropyl)-2-chloro-6-methylphenol.
What is the SMILES notation for 4-(3-aminopropyl)-2-chloro-6-methylphenol?
The canonical SMILES for 4-(3-aminopropyl)-2-chloro-6-methylphenol is Cc1cc(CCCN)cc(Cl)c1O.
What is the InChIKey of 4-(3-aminopropyl)-2-chloro-6-methylphenol?
The InChIKey is SMRSSCCQMPTJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-7-5-8(3-2-4-12)6-9(11)10(7)13/h5-6,13H,2-4,12H2,1H3.
What are the key properties of 4-(3-aminopropyl)-2-chloro-6-methylphenol?
4-(3-aminopropyl)-2-chloro-6-methylphenol has a molecular weight of 199.68 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropyl)-2-chloro-6-methylphenol is sourced from PubChem (CID 84775581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).