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

C14H22ClNO — CID 5261961

IUPACN-[2-(4-chlorophenoxy)ethyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)CCOc1ccc(Cl)cc1
InChIInChI=1S/C14H22ClNO/c1-3-9-16(10-4-2)11-12-17-14-7-5-13(15)6-8-14/h5-8H,3-4,9-12H2,1-2H3
InChIKeyFGBHPQBHSZGOIB-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.84
Rot. Bonds8

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

N-[2-(4-chlorophenoxy)ethyl]-N-propylpropan-1-amine (PubChem CID 5261961) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-N-propylpropan-1-amine
PubChem CID5261961
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)CCOc1ccc(Cl)cc1
InChIInChI=1S/C14H22ClNO/c1-3-9-16(10-4-2)11-12-17-14-7-5-13(15)6-8-14/h5-8H,3-4,9-12H2,1-2H3
InChIKeyFGBHPQBHSZGOIB-UHFFFAOYSA-N
XLogP3.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-methylphenoxy)ethyl]-N-propylpropan-1-amine
CID 5261957
2-[4-(4-chlorophenoxy)phenoxy]-N,N-diethylethanamine
CID 21318117
N-[2-[4-(2-aminoethyl)phenoxy]ethyl]-N-propylpropan-1-amine
CID 43253445
N'-[2-(4-chlorophenoxy)ethyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine
CID 79667626
2-[4-[3-(4-chlorophenyl)-5-phenylphenyl]phenoxy]-N,N-diethylethanamine
CID 160547333
methyl 3-[2-(4-chlorophenoxy)ethyl-ethylamino]propanoate
CID 62027354
3-(4-bromophenoxy)-N,N-dipropylpropan-1-amine
CID 5262100
N-[2-(4-chlorophenoxy)ethyl-methylsulfamoyl]-N-methylbutan-1-amine
CID 52580356
3-[3-(4-chlorophenoxy)propyl-ethylamino]propan-1-ol
CID 115666232
2-[3-(4-chlorophenoxy)propyl-ethylamino]ethanol
CID 60685925
N-[2-[8-[2-(dipropylamino)ethoxy]dibenzothiophen-2-yl]oxyethyl]-N-propylpropan-1-amine
CID 67163885
2-[2-(4-methylphenoxy)ethyl-propylamino]acetic acid
CID 61007102

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-N-propylpropan-1-amine?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-N-propylpropan-1-amine (CID 5261961) is N-[2-(4-chlorophenoxy)ethyl]-N-propylpropan-1-amine.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-N-propylpropan-1-amine?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-N-propylpropan-1-amine is CCCN(CCC)CCOc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-N-propylpropan-1-amine?
The InChIKey is FGBHPQBHSZGOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-3-9-16(10-4-2)11-12-17-14-7-5-13(15)6-8-14/h5-8H,3-4,9-12H2,1-2H3.
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-N-propylpropan-1-amine?
N-[2-(4-chlorophenoxy)ethyl]-N-propylpropan-1-amine has a molecular weight of 255.79 g/mol, XLogP of 3.84, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)ethyl]-N-propylpropan-1-amine is sourced from PubChem (CID 5261961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).