1-(4-chlorophenoxy)-3-methoxy-N-propylpropan-2-amine

C13H20ClNO2 — CID 105165730

IUPAC1-(4-chlorophenoxy)-3-methoxy-N-propylpropan-2-amine
SMILESCCCNC(COC)COc1ccc(Cl)cc1
InChIInChI=1S/C13H20ClNO2/c1-3-8-15-12(9-16-2)10-17-13-6-4-11(14)5-7-13/h4-7,12,15H,3,8-10H2,1-2H3
InChIKeyBFKSHYZFKXOXOP-UHFFFAOYSA-N
MW257.76 g/mol
LogP2.73
Rot. Bonds8

About 1-(4-chlorophenoxy)-3-methoxy-N-propylpropan-2-amine

1-(4-chlorophenoxy)-3-methoxy-N-propylpropan-2-amine (PubChem CID 105165730) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is 1-(4-chlorophenoxy)-3-methoxy-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenoxy)-3-methoxy-N-propylpropan-2-amine
PubChem CID105165730
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Name1-(4-chlorophenoxy)-3-methoxy-N-propylpropan-2-amine
SMILESCCCNC(COC)COc1ccc(Cl)cc1
InChIInChI=1S/C13H20ClNO2/c1-3-8-15-12(9-16-2)10-17-13-6-4-11(14)5-7-13/h4-7,12,15H,3,8-10H2,1-2H3
InChIKeyBFKSHYZFKXOXOP-UHFFFAOYSA-N
XLogP2.73
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-3-[4-(2-methoxyethyl)phenoxy]-N-propylpropan-2-amine
CID 107506757
1-(4-chlorophenoxy)-3-methoxy-N-methylpropan-2-amine
CID 105165684
1-methoxy-N-propyl-3-(2,4,6-trichlorophenoxy)propan-2-amine
CID 107506738
1-(4-chlorophenoxy)-N-ethyl-3-propoxypropan-2-amine
CID 105165293
N-ethyl-1-methoxy-3-(4-propoxyphenoxy)propan-2-amine
CID 107506697
5-methoxy-1-phenoxy-N-propylpentan-2-amine
CID 112688298
1-(5-bromothiophen-2-yl)-3-(4-chlorophenoxy)-N-propylpropan-2-amine
CID 105134904
1-(4-chlorophenoxy)-N-ethylhexan-2-amine
CID 105125264
N-ethyl-1-methoxy-3-(4-methylphenoxy)propan-2-amine
CID 107506620
1-(4-chlorophenyl)-5-methoxy-N-propylpentan-2-amine
CID 62601304
1-(4-chlorophenoxy)-N-methylhexan-2-amine
CID 105125626
4-(4-propoxyphenoxy)-3-(propylamino)butan-1-ol
CID 64899515

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenoxy)-3-methoxy-N-propylpropan-2-amine?
The IUPAC name of 1-(4-chlorophenoxy)-3-methoxy-N-propylpropan-2-amine (CID 105165730) is 1-(4-chlorophenoxy)-3-methoxy-N-propylpropan-2-amine.
What is the SMILES notation for 1-(4-chlorophenoxy)-3-methoxy-N-propylpropan-2-amine?
The canonical SMILES for 1-(4-chlorophenoxy)-3-methoxy-N-propylpropan-2-amine is CCCNC(COC)COc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenoxy)-3-methoxy-N-propylpropan-2-amine?
The InChIKey is BFKSHYZFKXOXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO2/c1-3-8-15-12(9-16-2)10-17-13-6-4-11(14)5-7-13/h4-7,12,15H,3,8-10H2,1-2H3.
What are the key properties of 1-(4-chlorophenoxy)-3-methoxy-N-propylpropan-2-amine?
1-(4-chlorophenoxy)-3-methoxy-N-propylpropan-2-amine has a molecular weight of 257.76 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenoxy)-3-methoxy-N-propylpropan-2-amine is sourced from PubChem (CID 105165730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).