(1S)-1-(2,5-dichlorophenyl)propan-1-amine

C9H11Cl2N — CID 26342063

IUPAC(1S)-1-(2,5-dichlorophenyl)propan-1-amine
SMILESCC[C@H](N)c1cc(Cl)ccc1Cl
InChIInChI=1S/C9H11Cl2N/c1-2-9(12)7-5-6(10)3-4-8(7)11/h3-5,9H,2,12H2,1H3/t9-/m0/s1
InChIKeyQDTICOAVVMENTI-VIFPVBQESA-N
MW204.10 g/mol
LogP3.40
Rot. Bonds2

About (1S)-1-(2,5-dichlorophenyl)propan-1-amine

(1S)-1-(2,5-dichlorophenyl)propan-1-amine (PubChem CID 26342063) has the molecular formula C9H11Cl2N and a molecular weight of 204.10 g/mol. Its IUPAC name is (1S)-1-(2,5-dichlorophenyl)propan-1-amine.

Molecular Properties

Compound Name(1S)-1-(2,5-dichlorophenyl)propan-1-amine
PubChem CID26342063
Molecular FormulaC9H11Cl2N
Molecular Weight204.10 g/mol
Exact Mass203.03
IUPAC Name(1S)-1-(2,5-dichlorophenyl)propan-1-amine
SMILESCC[C@H](N)c1cc(Cl)ccc1Cl
InChIInChI=1S/C9H11Cl2N/c1-2-9(12)7-5-6(10)3-4-8(7)11/h3-5,9H,2,12H2,1H3/t9-/m0/s1
InChIKeyQDTICOAVVMENTI-VIFPVBQESA-N
XLogP3.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.10
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,5-dichlorophenyl)-3-ethylpentan-1-amine
CID 105028229
(1R)-1-(2,5-dichlorophenyl)propane-1,3-diamine
CID 131122702
1-(5-bromo-2-chlorophenyl)propan-1-amine
CID 83988605
(1R)-1-(5-bromo-2-chlorophenyl)propan-1-amine;hydrochloride
CID 171203975
(1R)-1-(4-chloro-2-fluorophenyl)propan-1-amine
CID 58878078
1-(2,5-dichlorophenyl)-3-methoxypropan-1-amine
CID 62790378
(1R)-1-(2,5-dichlorophenyl)-3-fluoropropan-1-amine
CID 131460461
(1R)-1-(2,5-dichlorophenyl)pentane-1,5-diamine
CID 171202730
(1R)-1-(4-chloro-2-methylphenyl)propan-1-amine;hydrochloride
CID 171211834
1-(2,5-dichlorophenyl)-2-propan-2-yloxyethanamine
CID 105013246
(1R)-1-(5-chloro-2-methoxyphenyl)propan-1-amine;hydrochloride
CID 171215023
1-(2-chloro-4,5-difluorophenyl)propan-1-amine
CID 103693409

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,5-dichlorophenyl)propan-1-amine?
The IUPAC name of (1S)-1-(2,5-dichlorophenyl)propan-1-amine (CID 26342063) is (1S)-1-(2,5-dichlorophenyl)propan-1-amine.
What is the SMILES notation for (1S)-1-(2,5-dichlorophenyl)propan-1-amine?
The canonical SMILES for (1S)-1-(2,5-dichlorophenyl)propan-1-amine is CC[C@H](N)c1cc(Cl)ccc1Cl.
What is the InChIKey of (1S)-1-(2,5-dichlorophenyl)propan-1-amine?
The InChIKey is QDTICOAVVMENTI-VIFPVBQESA-N. The full InChI is InChI=1S/C9H11Cl2N/c1-2-9(12)7-5-6(10)3-4-8(7)11/h3-5,9H,2,12H2,1H3/t9-/m0/s1.
What are the key properties of (1S)-1-(2,5-dichlorophenyl)propan-1-amine?
(1S)-1-(2,5-dichlorophenyl)propan-1-amine has a molecular weight of 204.10 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,5-dichlorophenyl)propan-1-amine is sourced from PubChem (CID 26342063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).