5-(4-chlorophenoxy)-2,2-diethylpentan-1-amine

C15H24ClNO — CID 82138894

IUPAC5-(4-chlorophenoxy)-2,2-diethylpentan-1-amine
SMILESCCC(CC)(CN)CCCOc1ccc(Cl)cc1
InChIInChI=1S/C15H24ClNO/c1-3-15(4-2,12-17)10-5-11-18-14-8-6-13(16)7-9-14/h6-9H,3-5,10-12,17H2,1-2H3
InChIKeyFHIMBMNSOQPHIW-UHFFFAOYSA-N
MW269.82 g/mol
LogP4.26
Rot. Bonds8

About 5-(4-chlorophenoxy)-2,2-diethylpentan-1-amine

5-(4-chlorophenoxy)-2,2-diethylpentan-1-amine (PubChem CID 82138894) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 5-(4-chlorophenoxy)-2,2-diethylpentan-1-amine.

Molecular Properties

Compound Name5-(4-chlorophenoxy)-2,2-diethylpentan-1-amine
PubChem CID82138894
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name5-(4-chlorophenoxy)-2,2-diethylpentan-1-amine
SMILESCCC(CC)(CN)CCCOc1ccc(Cl)cc1
InChIInChI=1S/C15H24ClNO/c1-3-15(4-2,12-17)10-5-11-18-14-8-6-13(16)7-9-14/h6-9H,3-5,10-12,17H2,1-2H3
InChIKeyFHIMBMNSOQPHIW-UHFFFAOYSA-N
XLogP4.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 54.26
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

5-(3,4-dimethylphenoxy)-2,2-diethylpentan-1-amine
CID 82138572
4-(4-bromophenoxy)-2,2-diethylbutan-1-amine
CID 55106538
3-(4-chlorophenoxy)propan-1-amine;hydrochloride
CID 53439626
3-[4-(4-chlorophenoxy)phenoxy]propan-1-amine
CID 154815318
2,2-diethyl-4-naphthalen-2-yloxybutan-1-amine
CID 82138622
3-[4-(4-chlorophenoxy)butoxy]propan-1-amine
CID 82352662
2-(aminomethyl)-4-(4-bromophenoxy)-2-ethylbutan-1-ol
CID 106508332
5-[4-(4-chlorophenoxy)butoxy]pentan-1-amine
CID 82353611
(4-butoxyphenyl)-(4-chlorophenyl)methanamine
CID 105076576
O-[3-(4-chlorophenoxy)propyl]hydroxylamine;hydrochloride
CID 23437061
N'-[2-(4-chlorophenoxy)ethyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine
CID 79667626
1-chloro-4-(3-methoxy-3-methylbutoxy)benzene
CID 102974966

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenoxy)-2,2-diethylpentan-1-amine?
The IUPAC name of 5-(4-chlorophenoxy)-2,2-diethylpentan-1-amine (CID 82138894) is 5-(4-chlorophenoxy)-2,2-diethylpentan-1-amine.
What is the SMILES notation for 5-(4-chlorophenoxy)-2,2-diethylpentan-1-amine?
The canonical SMILES for 5-(4-chlorophenoxy)-2,2-diethylpentan-1-amine is CCC(CC)(CN)CCCOc1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenoxy)-2,2-diethylpentan-1-amine?
The InChIKey is FHIMBMNSOQPHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-3-15(4-2,12-17)10-5-11-18-14-8-6-13(16)7-9-14/h6-9H,3-5,10-12,17H2,1-2H3.
What are the key properties of 5-(4-chlorophenoxy)-2,2-diethylpentan-1-amine?
5-(4-chlorophenoxy)-2,2-diethylpentan-1-amine has a molecular weight of 269.82 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenoxy)-2,2-diethylpentan-1-amine is sourced from PubChem (CID 82138894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).