N-[2-(4-methylphenoxy)ethyl]-N-propylpropan-1-amine

C15H25NO — CID 5261957

IUPACN-[2-(4-methylphenoxy)ethyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)CCOc1ccc(C)cc1
InChIInChI=1S/C15H25NO/c1-4-10-16(11-5-2)12-13-17-15-8-6-14(3)7-9-15/h6-9H,4-5,10-13H2,1-3H3
InChIKeyQBSLNNCZDKYUHN-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.50
Rot. Bonds8

About N-[2-(4-methylphenoxy)ethyl]-N-propylpropan-1-amine

N-[2-(4-methylphenoxy)ethyl]-N-propylpropan-1-amine (PubChem CID 5261957) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[2-(4-methylphenoxy)ethyl]-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(4-methylphenoxy)ethyl]-N-propylpropan-1-amine
PubChem CID5261957
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-[2-(4-methylphenoxy)ethyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)CCOc1ccc(C)cc1
InChIInChI=1S/C15H25NO/c1-4-10-16(11-5-2)12-13-17-15-8-6-14(3)7-9-15/h6-9H,4-5,10-13H2,1-3H3
InChIKeyQBSLNNCZDKYUHN-UHFFFAOYSA-N
XLogP3.50
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(4-methylphenoxy)ethyl-propylamino]acetic acid
CID 61007102
N-[2-(4-chlorophenoxy)ethyl]-N-propylpropan-1-amine
CID 5261961
N-[2-[4-(2-aminoethyl)phenoxy]ethyl]-N-propylpropan-1-amine
CID 43253445
3-[butyl-[2-(4-methylphenoxy)ethyl]amino]propanoic acid
CID 82329434
N-[2-(4-methylphenoxy)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106640448
3-(4-bromophenoxy)-N,N-dipropylpropan-1-amine
CID 5262100
N-[2-[8-[2-(dipropylamino)ethoxy]dibenzothiophen-2-yl]oxyethyl]-N-propylpropan-1-amine
CID 67163885
1-methyl-4-[2-(2-propoxyethoxy)ethoxy]benzene
CID 58462382
methyl 3-[2-methoxyethyl-[2-(4-methylphenoxy)ethyl]amino]propanoate
CID 78958910
N-ethyl-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]propan-1-amine
CID 55074636
ethane;1-(2-fluoroethoxy)-4-methylbenzene
CID 142309231
1-ethoxy-4-[4-(4-methylphenoxy)butoxy]benzene
CID 2283416

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenoxy)ethyl]-N-propylpropan-1-amine?
The IUPAC name of N-[2-(4-methylphenoxy)ethyl]-N-propylpropan-1-amine (CID 5261957) is N-[2-(4-methylphenoxy)ethyl]-N-propylpropan-1-amine.
What is the SMILES notation for N-[2-(4-methylphenoxy)ethyl]-N-propylpropan-1-amine?
The canonical SMILES for N-[2-(4-methylphenoxy)ethyl]-N-propylpropan-1-amine is CCCN(CCC)CCOc1ccc(C)cc1.
What is the InChIKey of N-[2-(4-methylphenoxy)ethyl]-N-propylpropan-1-amine?
The InChIKey is QBSLNNCZDKYUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-10-16(11-5-2)12-13-17-15-8-6-14(3)7-9-15/h6-9H,4-5,10-13H2,1-3H3.
What are the key properties of N-[2-(4-methylphenoxy)ethyl]-N-propylpropan-1-amine?
N-[2-(4-methylphenoxy)ethyl]-N-propylpropan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.50, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenoxy)ethyl]-N-propylpropan-1-amine is sourced from PubChem (CID 5261957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).