2-[(2,5-dichlorophenyl)methyl]-2-ethyl-N-propylbutan-1-amine

C16H25Cl2N — CID 65318529

IUPAC2-[(2,5-dichlorophenyl)methyl]-2-ethyl-N-propylbutan-1-amine
SMILESCCCNCC(CC)(CC)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H25Cl2N/c1-4-9-19-12-16(5-2,6-3)11-13-10-14(17)7-8-15(13)18/h7-8,10,19H,4-6,9,11-12H2,1-3H3
InChIKeyPHWXIWRSYLVPQC-UHFFFAOYSA-N
MW302.29 g/mol
LogP5.34
Rot. Bonds8

About 2-[(2,5-dichlorophenyl)methyl]-2-ethyl-N-propylbutan-1-amine

2-[(2,5-dichlorophenyl)methyl]-2-ethyl-N-propylbutan-1-amine (PubChem CID 65318529) has the molecular formula C16H25Cl2N and a molecular weight of 302.29 g/mol. Its IUPAC name is 2-[(2,5-dichlorophenyl)methyl]-2-ethyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-[(2,5-dichlorophenyl)methyl]-2-ethyl-N-propylbutan-1-amine
PubChem CID65318529
Molecular FormulaC16H25Cl2N
Molecular Weight302.29 g/mol
Exact Mass301.14
IUPAC Name2-[(2,5-dichlorophenyl)methyl]-2-ethyl-N-propylbutan-1-amine
SMILESCCCNCC(CC)(CC)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H25Cl2N/c1-4-9-19-12-16(5-2,6-3)11-13-10-14(17)7-8-15(13)18/h7-8,10,19H,4-6,9,11-12H2,1-3H3
InChIKeyPHWXIWRSYLVPQC-UHFFFAOYSA-N
XLogP5.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.29
LogP ≤ 55.34
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

2-[(2,5-dichlorophenyl)methyl]-2-ethyl-N-methylbutan-1-amine
CID 65318481
1-(2,5-dichlorophenyl)-2-methyl-3-(propylamino)propan-2-ol
CID 66039856
2-[(5-chloro-2-methoxyphenyl)methyl]-N,2-diethylbutan-1-amine
CID 63507590
3-(2,5-dichlorophenyl)-2-methyl-N-propylpropan-1-amine
CID 64666245
2-[(2,5-dichlorophenyl)methyl]-N-ethyl-2-methylbut-3-en-1-amine
CID 102640703
2-[(2,6-difluorophenyl)methyl]-2-ethyl-N-propylbutan-1-amine
CID 114933584
2-ethyl-2-[(2-methoxyphenyl)methyl]-N-propylbutan-1-amine
CID 55106604
2,2-diethyl-N-propylbutan-1-amine
CID 62724441
2-[(2-chloro-4-methylphenyl)methyl]-2-ethyl-N-(2-methoxyethyl)butan-1-amine
CID 106869532
2-[(2-chloro-5-fluorophenyl)methyl]-N,2-diethylhexan-1-amine
CID 102619893
2-[(2,4-dichlorophenyl)methyl]-2-ethyl-N-methylhexan-1-amine
CID 63507726
2-[(5-chloro-2-fluorophenyl)methyl]-2-ethyl-N-methylhexan-1-amine
CID 103049706

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichlorophenyl)methyl]-2-ethyl-N-propylbutan-1-amine?
The IUPAC name of 2-[(2,5-dichlorophenyl)methyl]-2-ethyl-N-propylbutan-1-amine (CID 65318529) is 2-[(2,5-dichlorophenyl)methyl]-2-ethyl-N-propylbutan-1-amine.
What is the SMILES notation for 2-[(2,5-dichlorophenyl)methyl]-2-ethyl-N-propylbutan-1-amine?
The canonical SMILES for 2-[(2,5-dichlorophenyl)methyl]-2-ethyl-N-propylbutan-1-amine is CCCNCC(CC)(CC)Cc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[(2,5-dichlorophenyl)methyl]-2-ethyl-N-propylbutan-1-amine?
The InChIKey is PHWXIWRSYLVPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25Cl2N/c1-4-9-19-12-16(5-2,6-3)11-13-10-14(17)7-8-15(13)18/h7-8,10,19H,4-6,9,11-12H2,1-3H3.
What are the key properties of 2-[(2,5-dichlorophenyl)methyl]-2-ethyl-N-propylbutan-1-amine?
2-[(2,5-dichlorophenyl)methyl]-2-ethyl-N-propylbutan-1-amine has a molecular weight of 302.29 g/mol, XLogP of 5.34, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dichlorophenyl)methyl]-2-ethyl-N-propylbutan-1-amine is sourced from PubChem (CID 65318529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).