5-(2-chloro-5-methylphenoxy)-N-methylpentan-1-amine

C13H20ClNO — CID 62485519

IUPAC5-(2-chloro-5-methylphenoxy)-N-methylpentan-1-amine
SMILESCNCCCCCOc1cc(C)ccc1Cl
InChIInChI=1S/C13H20ClNO/c1-11-6-7-12(14)13(10-11)16-9-5-3-4-8-15-2/h6-7,10,15H,3-5,8-9H2,1-2H3
InChIKeyISTPEQUGFFYYGY-UHFFFAOYSA-N
MW241.76 g/mol
LogP3.42
Rot. Bonds7

About 5-(2-chloro-5-methylphenoxy)-N-methylpentan-1-amine

5-(2-chloro-5-methylphenoxy)-N-methylpentan-1-amine (PubChem CID 62485519) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 5-(2-chloro-5-methylphenoxy)-N-methylpentan-1-amine.

Molecular Properties

Compound Name5-(2-chloro-5-methylphenoxy)-N-methylpentan-1-amine
PubChem CID62485519
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name5-(2-chloro-5-methylphenoxy)-N-methylpentan-1-amine
SMILESCNCCCCCOc1cc(C)ccc1Cl
InChIInChI=1S/C13H20ClNO/c1-11-6-7-12(14)13(10-11)16-9-5-3-4-8-15-2/h6-7,10,15H,3-5,8-9H2,1-2H3
InChIKeyISTPEQUGFFYYGY-UHFFFAOYSA-N
XLogP3.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 53.42
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

2-[3-(2-chloro-5-methylphenoxy)propoxy]-N-methylethanamine
CID 82353992
3-(2,5-dimethylphenoxy)-N-methylpropan-1-amine
CID 23010535
7-(2-chloro-5-methylphenoxy)heptanoic acid
CID 39369862
N-[3-(2-chloro-5-methylphenoxy)propyl]-2-methylpropan-2-amine
CID 2865567
N-[2-(2-chloro-5-methylphenoxy)ethyl]-4-methylaniline
CID 55195145
N-[2-(2-chloro-5-methylphenoxy)ethyl]butan-1-amine
CID 27274455
N-[3-(2-chloro-5-methylphenoxy)propyl]aniline
CID 62597720
N-[3-(2-chloro-5-methylphenoxy)propyl]-2-methylpropan-1-amine
CID 55211278
1-chloro-2-[3-(2-methoxy-4-methylphenoxy)propoxy]-4-methylbenzene
CID 2899624
N-[2-(2-chloro-5-methylphenoxy)ethyl]-3-ethoxypropan-1-amine
CID 55093300
N'-[2-[2-(2-chloro-5-methylphenoxy)ethoxy]ethyl]ethane-1,2-diamine
CID 2276700
5-(2-chloro-5-methylphenoxy)pentanehydrazide
CID 63576775

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-5-methylphenoxy)-N-methylpentan-1-amine?
The IUPAC name of 5-(2-chloro-5-methylphenoxy)-N-methylpentan-1-amine (CID 62485519) is 5-(2-chloro-5-methylphenoxy)-N-methylpentan-1-amine.
What is the SMILES notation for 5-(2-chloro-5-methylphenoxy)-N-methylpentan-1-amine?
The canonical SMILES for 5-(2-chloro-5-methylphenoxy)-N-methylpentan-1-amine is CNCCCCCOc1cc(C)ccc1Cl.
What is the InChIKey of 5-(2-chloro-5-methylphenoxy)-N-methylpentan-1-amine?
The InChIKey is ISTPEQUGFFYYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-11-6-7-12(14)13(10-11)16-9-5-3-4-8-15-2/h6-7,10,15H,3-5,8-9H2,1-2H3.
What are the key properties of 5-(2-chloro-5-methylphenoxy)-N-methylpentan-1-amine?
5-(2-chloro-5-methylphenoxy)-N-methylpentan-1-amine has a molecular weight of 241.76 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-5-methylphenoxy)-N-methylpentan-1-amine is sourced from PubChem (CID 62485519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).