1-(2,4,5-trichlorophenyl)propan-2-amine;hydrochloride

C9H11Cl4N — CID 3041172

IUPAC1-(2,4,5-trichlorophenyl)propan-2-amine;hydrochloride
SMILESCC(N)Cc1cc(Cl)c(Cl)cc1Cl.Cl
InChIInChI=1S/C9H10Cl3N.ClH/c1-5(13)2-6-3-8(11)9(12)4-7(6)10;/h3-5H,2,13H2,1H3;1H
InChIKeyIFTAPAZHHOGGQQ-UHFFFAOYSA-N
MW275.01 g/mol
LogP3.96
Rot. Bonds2

About 1-(2,4,5-trichlorophenyl)propan-2-amine;hydrochloride

1-(2,4,5-trichlorophenyl)propan-2-amine;hydrochloride (PubChem CID 3041172) has the molecular formula C9H11Cl4N and a molecular weight of 275.01 g/mol. Its IUPAC name is 1-(2,4,5-trichlorophenyl)propan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(2,4,5-trichlorophenyl)propan-2-amine;hydrochloride
PubChem CID3041172
Molecular FormulaC9H11Cl4N
Molecular Weight275.01 g/mol
Exact Mass272.96
IUPAC Name1-(2,4,5-trichlorophenyl)propan-2-amine;hydrochloride
SMILESCC(N)Cc1cc(Cl)c(Cl)cc1Cl.Cl
InChIInChI=1S/C9H10Cl3N.ClH/c1-5(13)2-6-3-8(11)9(12)4-7(6)10;/h3-5H,2,13H2,1H3;1H
InChIKeyIFTAPAZHHOGGQQ-UHFFFAOYSA-N
XLogP3.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.01
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(5-chloro-2,4-difluorophenyl)propan-2-amine
CID 117294361
4-(2-aminopropyl)-3-chloro-N,N-dimethylaniline;dihydrochloride
CID 3043609
1-(2-chloro-4-fluorophenyl)propan-2-amine
CID 62600100
1-(5-chloro-2-fluoro-4-methylphenyl)propan-2-amine
CID 117290515
2-(2-aminopropyl)-4-chloro-5-fluorophenol
CID 117292217
1-(5-chloro-2-fluoro-4-methoxyphenyl)propan-2-amine;hydrochloride
CID 170894016
4-(2-aminopropyl)-6-chloro-2,3-difluorophenol
CID 117317248
1-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)propan-2-amine
CID 117372462
1-(4-chloro-1-methoxynaphthalen-2-yl)propan-2-amine
CID 170891521
1-(3-chloro-2-ethoxy-5-propan-2-ylphenyl)propan-2-amine;hydrochloride
CID 170893991
1-(4-chloro-2-iodophenyl)propan-2-amine
CID 130001695
2-(2-aminopropyl)-5-chlorophenol
CID 83697150

Frequently Asked Questions

What is the IUPAC name of 1-(2,4,5-trichlorophenyl)propan-2-amine;hydrochloride?
The IUPAC name of 1-(2,4,5-trichlorophenyl)propan-2-amine;hydrochloride (CID 3041172) is 1-(2,4,5-trichlorophenyl)propan-2-amine;hydrochloride.
What is the SMILES notation for 1-(2,4,5-trichlorophenyl)propan-2-amine;hydrochloride?
The canonical SMILES for 1-(2,4,5-trichlorophenyl)propan-2-amine;hydrochloride is CC(N)Cc1cc(Cl)c(Cl)cc1Cl.Cl.
What is the InChIKey of 1-(2,4,5-trichlorophenyl)propan-2-amine;hydrochloride?
The InChIKey is IFTAPAZHHOGGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl3N.ClH/c1-5(13)2-6-3-8(11)9(12)4-7(6)10;/h3-5H,2,13H2,1H3;1H.
What are the key properties of 1-(2,4,5-trichlorophenyl)propan-2-amine;hydrochloride?
1-(2,4,5-trichlorophenyl)propan-2-amine;hydrochloride has a molecular weight of 275.01 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,5-trichlorophenyl)propan-2-amine;hydrochloride is sourced from PubChem (CID 3041172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).