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

C10H14ClNO — CID 117288922

IUPAC2-(2-aminopropyl)-4-chloro-3-methylphenol
SMILESCc1c(Cl)ccc(O)c1CC(C)N
InChIInChI=1S/C10H14ClNO/c1-6(12)5-8-7(2)9(11)3-4-10(8)13/h3-4,6,13H,5,12H2,1-2H3
InChIKeyRHTYPESSBPMJGA-UHFFFAOYSA-N
MW199.68 g/mol
LogP2.24
Rot. Bonds2

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

2-(2-aminopropyl)-4-chloro-3-methylphenol (PubChem CID 117288922) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 2-(2-aminopropyl)-4-chloro-3-methylphenol.

Molecular Properties

Compound Name2-(2-aminopropyl)-4-chloro-3-methylphenol
PubChem CID117288922
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name2-(2-aminopropyl)-4-chloro-3-methylphenol
SMILESCc1c(Cl)ccc(O)c1CC(C)N
InChIInChI=1S/C10H14ClNO/c1-6(12)5-8-7(2)9(11)3-4-10(8)13/h3-4,6,13H,5,12H2,1-2H3
InChIKeyRHTYPESSBPMJGA-UHFFFAOYSA-N
XLogP2.24
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-aminoethyl)-4-chloro-3-methylphenol
CID 84660349
4-(2-aminopropyl)-2-chloro-3,5-dimethylphenol
CID 117304826
2-[(1-aminocyclopropyl)methyl]-4-chloro-3-methylphenol
CID 117302400
4-(2-aminopropyl)-2,3,5-trimethylphenol
CID 117111308
4-(2-aminopropyl)-3-chloro-5-methylbenzene-1,2-diol
CID 117307437
2-(3-chloro-6-hydroxy-2-methylphenyl)ethanesulfonyl chloride
CID 84808556
3-(2-aminopropyl)-4-bromobenzene-1,2-diol
CID 117366974
2-(2-amino-3-methylbutyl)-3-chlorophenol
CID 115347401
1-[4-(2-aminopropyl)-2,3,5,6-tetrachlorophenyl]propan-2-amine
CID 170864520
1-(2,6-dichloro-3-nitrophenyl)propan-2-amine
CID 131531071
2-(2-aminopropyl)-3-(trifluoromethyl)phenol
CID 117311833
1-(6-chloro-2,3-dimethylphenyl)propan-2-ol
CID 117288115

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropyl)-4-chloro-3-methylphenol?
The IUPAC name of 2-(2-aminopropyl)-4-chloro-3-methylphenol (CID 117288922) is 2-(2-aminopropyl)-4-chloro-3-methylphenol.
What is the SMILES notation for 2-(2-aminopropyl)-4-chloro-3-methylphenol?
The canonical SMILES for 2-(2-aminopropyl)-4-chloro-3-methylphenol is Cc1c(Cl)ccc(O)c1CC(C)N.
What is the InChIKey of 2-(2-aminopropyl)-4-chloro-3-methylphenol?
The InChIKey is RHTYPESSBPMJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-6(12)5-8-7(2)9(11)3-4-10(8)13/h3-4,6,13H,5,12H2,1-2H3.
What are the key properties of 2-(2-aminopropyl)-4-chloro-3-methylphenol?
2-(2-aminopropyl)-4-chloro-3-methylphenol has a molecular weight of 199.68 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropyl)-4-chloro-3-methylphenol is sourced from PubChem (CID 117288922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).