5-(4-chloro-2,5-dimethylphenyl)-N-ethylpentan-1-amine

C15H24ClN — CID 65305563

IUPAC5-(4-chloro-2,5-dimethylphenyl)-N-ethylpentan-1-amine
SMILESCCNCCCCCc1cc(C)c(Cl)cc1C
InChIInChI=1S/C15H24ClN/c1-4-17-9-7-5-6-8-14-10-13(3)15(16)11-12(14)2/h10-11,17H,4-9H2,1-3H3
InChIKeyBJPCRFKVTDFICS-UHFFFAOYSA-N
MW253.82 g/mol
LogP4.28
Rot. Bonds7

About 5-(4-chloro-2,5-dimethylphenyl)-N-ethylpentan-1-amine

5-(4-chloro-2,5-dimethylphenyl)-N-ethylpentan-1-amine (PubChem CID 65305563) has the molecular formula C15H24ClN and a molecular weight of 253.82 g/mol. Its IUPAC name is 5-(4-chloro-2,5-dimethylphenyl)-N-ethylpentan-1-amine.

Molecular Properties

Compound Name5-(4-chloro-2,5-dimethylphenyl)-N-ethylpentan-1-amine
PubChem CID65305563
Molecular FormulaC15H24ClN
Molecular Weight253.82 g/mol
Exact Mass253.16
IUPAC Name5-(4-chloro-2,5-dimethylphenyl)-N-ethylpentan-1-amine
SMILESCCNCCCCCc1cc(C)c(Cl)cc1C
InChIInChI=1S/C15H24ClN/c1-4-17-9-7-5-6-8-14-10-13(3)15(16)11-12(14)2/h10-11,17H,4-9H2,1-3H3
InChIKeyBJPCRFKVTDFICS-UHFFFAOYSA-N
XLogP4.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.82
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(4-chloro-2,5-dimethylphenyl)-N-(2-methoxyethyl)butan-1-amine
CID 65302883
4-(2-chloro-4,5-dimethoxyphenyl)-N-ethylbutan-1-amine
CID 65305689
4-(2-chloro-4,5-dimethylphenyl)-N-(2-methoxyethyl)butan-1-amine
CID 113319723
5-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-ethylpentan-1-amine
CID 65305381
N-ethyl-5-(4-methylnaphthalen-1-yl)pentan-1-amine
CID 65305418
6-(5-chloro-2-methoxyphenyl)-N-ethylhexan-1-amine
CID 104544671
4-(4-chloronaphthalen-1-yl)-N-ethylbutan-1-amine
CID 79597058
N-(2-bromo-5-chloro-4-methylphenyl)-4-(ethylamino)butane-1-sulfonamide
CID 106078934
N,N'-diethylpentane-1,5-diamine
CID 15013244
5-(4-bromo-2,5-dimethylphenyl)-N-(2-methoxyethyl)pentan-1-amine
CID 65305614
6-(2-ethoxy-5-methylphenyl)-N-ethylhexan-1-amine
CID 65306553
5-(2,4-difluoro-5-methylphenyl)-N-propylpentan-1-amine
CID 79731647

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2,5-dimethylphenyl)-N-ethylpentan-1-amine?
The IUPAC name of 5-(4-chloro-2,5-dimethylphenyl)-N-ethylpentan-1-amine (CID 65305563) is 5-(4-chloro-2,5-dimethylphenyl)-N-ethylpentan-1-amine.
What is the SMILES notation for 5-(4-chloro-2,5-dimethylphenyl)-N-ethylpentan-1-amine?
The canonical SMILES for 5-(4-chloro-2,5-dimethylphenyl)-N-ethylpentan-1-amine is CCNCCCCCc1cc(C)c(Cl)cc1C.
What is the InChIKey of 5-(4-chloro-2,5-dimethylphenyl)-N-ethylpentan-1-amine?
The InChIKey is BJPCRFKVTDFICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN/c1-4-17-9-7-5-6-8-14-10-13(3)15(16)11-12(14)2/h10-11,17H,4-9H2,1-3H3.
What are the key properties of 5-(4-chloro-2,5-dimethylphenyl)-N-ethylpentan-1-amine?
5-(4-chloro-2,5-dimethylphenyl)-N-ethylpentan-1-amine has a molecular weight of 253.82 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2,5-dimethylphenyl)-N-ethylpentan-1-amine is sourced from PubChem (CID 65305563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).