5-(3,4-dichlorophenoxy)-N-propan-2-ylpentan-1-amine

C14H21Cl2NO — CID 62485763

IUPAC5-(3,4-dichlorophenoxy)-N-propan-2-ylpentan-1-amine
SMILESCC(C)NCCCCCOc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H21Cl2NO/c1-11(2)17-8-4-3-5-9-18-12-6-7-13(15)14(16)10-12/h6-7,10-11,17H,3-5,8-9H2,1-2H3
InChIKeyNOPXHRVMXHSXHV-UHFFFAOYSA-N
MW290.23 g/mol
LogP4.54
Rot. Bonds8

About 5-(3,4-dichlorophenoxy)-N-propan-2-ylpentan-1-amine

5-(3,4-dichlorophenoxy)-N-propan-2-ylpentan-1-amine (PubChem CID 62485763) has the molecular formula C14H21Cl2NO and a molecular weight of 290.23 g/mol. Its IUPAC name is 5-(3,4-dichlorophenoxy)-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name5-(3,4-dichlorophenoxy)-N-propan-2-ylpentan-1-amine
PubChem CID62485763
Molecular FormulaC14H21Cl2NO
Molecular Weight290.23 g/mol
Exact Mass289.10
IUPAC Name5-(3,4-dichlorophenoxy)-N-propan-2-ylpentan-1-amine
SMILESCC(C)NCCCCCOc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H21Cl2NO/c1-11(2)17-8-4-3-5-9-18-12-6-7-13(15)14(16)10-12/h6-7,10-11,17H,3-5,8-9H2,1-2H3
InChIKeyNOPXHRVMXHSXHV-UHFFFAOYSA-N
XLogP4.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(3,4-dichlorophenoxy)-N-propan-2-ylbutan-1-amine
CID 2298232
4-(4-chloro-3-ethylphenoxy)-N-propan-2-ylbutan-1-amine
CID 62485010
N-[3-(3,4-dichlorophenoxy)propyl]-2-methylpropan-1-amine
CID 62484864
N-propan-2-yl-5-quinolin-7-yloxypentan-1-amine
CID 107314998
4-(3-methyl-4-propan-2-ylphenoxy)-N-propan-2-ylbutan-1-amine
CID 55077310
4-(2,3-dihydro-1H-inden-5-yloxy)-N-propan-2-ylbutan-1-amine
CID 62460874
5-(1,3-benzodioxol-5-yloxy)-N-propan-2-ylpentan-1-amine
CID 62452164
N-[2-(3,4-dichlorophenoxy)ethyl]-2-methylpropan-1-amine
CID 62484692
N-propan-2-yl-4-(2,4,6-trichlorophenoxy)butan-1-amine
CID 62572065
4-(4-bromobutoxy)-1,2-dichlorobenzene
CID 18768634
5-[4-(2-methylbutan-2-yl)phenoxy]-N-propan-2-ylpentan-1-amine
CID 63498583
2-(3,4-dichlorophenoxy)-N-ethylethanamine
CID 6457952

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenoxy)-N-propan-2-ylpentan-1-amine?
The IUPAC name of 5-(3,4-dichlorophenoxy)-N-propan-2-ylpentan-1-amine (CID 62485763) is 5-(3,4-dichlorophenoxy)-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 5-(3,4-dichlorophenoxy)-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 5-(3,4-dichlorophenoxy)-N-propan-2-ylpentan-1-amine is CC(C)NCCCCCOc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 5-(3,4-dichlorophenoxy)-N-propan-2-ylpentan-1-amine?
The InChIKey is NOPXHRVMXHSXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2NO/c1-11(2)17-8-4-3-5-9-18-12-6-7-13(15)14(16)10-12/h6-7,10-11,17H,3-5,8-9H2,1-2H3.
What are the key properties of 5-(3,4-dichlorophenoxy)-N-propan-2-ylpentan-1-amine?
5-(3,4-dichlorophenoxy)-N-propan-2-ylpentan-1-amine has a molecular weight of 290.23 g/mol, XLogP of 4.54, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenoxy)-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 62485763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).