3-chloro-1-(2,3,5,6-tetramethylphenyl)propan-1-amine

C13H20ClN — CID 116937694

IUPAC3-chloro-1-(2,3,5,6-tetramethylphenyl)propan-1-amine
SMILESCc1cc(C)c(C)c(C(N)CCCl)c1C
InChIInChI=1S/C13H20ClN/c1-8-7-9(2)11(4)13(10(8)3)12(15)5-6-14/h7,12H,5-6,15H2,1-4H3
InChIKeyNFUJOPIKKYYHRY-UHFFFAOYSA-N
MW225.76 g/mol
LogP3.55
Rot. Bonds3

About 3-chloro-1-(2,3,5,6-tetramethylphenyl)propan-1-amine

3-chloro-1-(2,3,5,6-tetramethylphenyl)propan-1-amine (PubChem CID 116937694) has the molecular formula C13H20ClN and a molecular weight of 225.76 g/mol. Its IUPAC name is 3-chloro-1-(2,3,5,6-tetramethylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-chloro-1-(2,3,5,6-tetramethylphenyl)propan-1-amine
PubChem CID116937694
Molecular FormulaC13H20ClN
Molecular Weight225.76 g/mol
Exact Mass225.13
IUPAC Name3-chloro-1-(2,3,5,6-tetramethylphenyl)propan-1-amine
SMILESCc1cc(C)c(C)c(C(N)CCCl)c1C
InChIInChI=1S/C13H20ClN/c1-8-7-9(2)11(4)13(10(8)3)12(15)5-6-14/h7,12H,5-6,15H2,1-4H3
InChIKeyNFUJOPIKKYYHRY-UHFFFAOYSA-N
XLogP3.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.76
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3,5,6-tetramethylphenyl)nonan-1-amine
CID 65448374
1-(2,3,5,6-tetramethylphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103207056
4-chloro-1-(2,3,5,6-tetramethylphenyl)butan-1-ol
CID 82117476
methyl 5-amino-5-(2,3,5,6-tetramethylphenyl)pentanoate
CID 54927569
3-chloro-1-(2,4-dimethoxy-6-methylphenyl)propan-1-amine
CID 116937769
2-(4-chlorophenyl)-1-(2,3,5,6-tetramethylphenyl)ethanamine
CID 43337996
N'-propan-2-yl-1-(2,3,5,6-tetramethylphenyl)ethane-1,2-diamine
CID 116935034
3-(oxolan-2-yl)-1-(2,3,5,6-tetramethylphenyl)propan-1-amine
CID 65155041
2-(2-chlorophenyl)-1-(2,3,5,6-tetramethylphenyl)ethanamine
CID 43103860
3-(oxan-2-yl)-1-(2,3,5,6-tetramethylphenyl)propan-1-amine
CID 63952126
4-amino-2,2-dimethyl-4-(2,3,5,6-tetramethylphenyl)butanoic acid
CID 65298192
3-(2-chloroethyl)-1,2,4,5-tetramethylbenzene
CID 53403936

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(2,3,5,6-tetramethylphenyl)propan-1-amine?
The IUPAC name of 3-chloro-1-(2,3,5,6-tetramethylphenyl)propan-1-amine (CID 116937694) is 3-chloro-1-(2,3,5,6-tetramethylphenyl)propan-1-amine.
What is the SMILES notation for 3-chloro-1-(2,3,5,6-tetramethylphenyl)propan-1-amine?
The canonical SMILES for 3-chloro-1-(2,3,5,6-tetramethylphenyl)propan-1-amine is Cc1cc(C)c(C)c(C(N)CCCl)c1C.
What is the InChIKey of 3-chloro-1-(2,3,5,6-tetramethylphenyl)propan-1-amine?
The InChIKey is NFUJOPIKKYYHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN/c1-8-7-9(2)11(4)13(10(8)3)12(15)5-6-14/h7,12H,5-6,15H2,1-4H3.
What are the key properties of 3-chloro-1-(2,3,5,6-tetramethylphenyl)propan-1-amine?
3-chloro-1-(2,3,5,6-tetramethylphenyl)propan-1-amine has a molecular weight of 225.76 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(2,3,5,6-tetramethylphenyl)propan-1-amine is sourced from PubChem (CID 116937694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).