5-chloro-N-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpentan-1-amine

C16H26ClNO2 — CID 106141180

IUPAC5-chloro-N-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpentan-1-amine
SMILESCOc1ccc(OCCNCC(C)(C)CCCCl)cc1
InChIInChI=1S/C16H26ClNO2/c1-16(2,9-4-10-17)13-18-11-12-20-15-7-5-14(19-3)6-8-15/h5-8,18H,4,9-13H2,1-3H3
InChIKeyQTURFWSNWYLIFH-UHFFFAOYSA-N
MW299.84 g/mol
LogP3.71
Rot. Bonds10

About 5-chloro-N-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpentan-1-amine

5-chloro-N-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpentan-1-amine (PubChem CID 106141180) has the molecular formula C16H26ClNO2 and a molecular weight of 299.84 g/mol. Its IUPAC name is 5-chloro-N-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpentan-1-amine.

Molecular Properties

Compound Name5-chloro-N-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpentan-1-amine
PubChem CID106141180
Molecular FormulaC16H26ClNO2
Molecular Weight299.84 g/mol
Exact Mass299.17
IUPAC Name5-chloro-N-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpentan-1-amine
SMILESCOc1ccc(OCCNCC(C)(C)CCCCl)cc1
InChIInChI=1S/C16H26ClNO2/c1-16(2,9-4-10-17)13-18-11-12-20-15-7-5-14(19-3)6-8-15/h5-8,18H,4,9-13H2,1-3H3
InChIKeyQTURFWSNWYLIFH-UHFFFAOYSA-N
XLogP3.71
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.84
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylpentan-1-amine
CID 106141104
5-chloro-2,2-dimethyl-N-(3-phenoxypropyl)pentan-1-amine
CID 106141093
4-chloro-2,2-dimethyl-N-(3-phenoxypropyl)butan-1-amine
CID 114148906
1-[2-(4-methoxyphenoxy)ethylamino]-2-methylpropane-2-thiol
CID 13049074
4-chloro-N-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylbutan-1-amine
CID 106140377
N-(2-methoxyethyl)-3-(4-methoxyphenoxy)propan-1-amine
CID 60683313
2,2-difluoro-3-[2-(4-methoxyphenoxy)ethylamino]propan-1-ol
CID 106176853
2,2,3,3-tetrafluoro-N-[2-(4-methoxyphenoxy)ethyl]propan-1-amine
CID 106292101
1-(2-chloroethoxy)-4-methoxybenzene
CID 10081150
3-iodo-N-[2-(4-methoxyphenoxy)ethyl]propan-1-amine
CID 114503775
2-(4-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 39388259
2-(4-tert-butylphenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 39454639

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpentan-1-amine?
The IUPAC name of 5-chloro-N-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpentan-1-amine (CID 106141180) is 5-chloro-N-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpentan-1-amine.
What is the SMILES notation for 5-chloro-N-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpentan-1-amine?
The canonical SMILES for 5-chloro-N-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpentan-1-amine is COc1ccc(OCCNCC(C)(C)CCCCl)cc1.
What is the InChIKey of 5-chloro-N-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpentan-1-amine?
The InChIKey is QTURFWSNWYLIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO2/c1-16(2,9-4-10-17)13-18-11-12-20-15-7-5-14(19-3)6-8-15/h5-8,18H,4,9-13H2,1-3H3.
What are the key properties of 5-chloro-N-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpentan-1-amine?
5-chloro-N-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpentan-1-amine has a molecular weight of 299.84 g/mol, XLogP of 3.71, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpentan-1-amine is sourced from PubChem (CID 106141180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).