5-[4-(5-amino-2-methoxypentoxy)phenoxy]-4-methoxypentan-1-amine

C18H32N2O4 — CID 139812707

IUPAC5-[4-(5-amino-2-methoxypentoxy)phenoxy]-4-methoxypentan-1-amine
SMILESCOC(CCCN)COc1ccc(OCC(CCCN)OC)cc1
InChIInChI=1S/C18H32N2O4/c1-21-17(5-3-11-19)13-23-15-7-9-16(10-8-15)24-14-18(22-2)6-4-12-20/h7-10,17-18H,3-6,11-14,19-20H2,1-2H3
InChIKeyYTSFRDORHRDYDI-UHFFFAOYSA-N
MW340.46 g/mol
LogP1.95
Rot. Bonds14

About 5-[4-(5-amino-2-methoxypentoxy)phenoxy]-4-methoxypentan-1-amine

5-[4-(5-amino-2-methoxypentoxy)phenoxy]-4-methoxypentan-1-amine (PubChem CID 139812707) has the molecular formula C18H32N2O4 and a molecular weight of 340.46 g/mol. Its IUPAC name is 5-[4-(5-amino-2-methoxypentoxy)phenoxy]-4-methoxypentan-1-amine.

Molecular Properties

Compound Name5-[4-(5-amino-2-methoxypentoxy)phenoxy]-4-methoxypentan-1-amine
PubChem CID139812707
Molecular FormulaC18H32N2O4
Molecular Weight340.46 g/mol
Exact Mass340.24
IUPAC Name5-[4-(5-amino-2-methoxypentoxy)phenoxy]-4-methoxypentan-1-amine
SMILESCOC(CCCN)COc1ccc(OCC(CCCN)OC)cc1
InChIInChI=1S/C18H32N2O4/c1-21-17(5-3-11-19)13-23-15-7-9-16(10-8-15)24-14-18(22-2)6-4-12-20/h7-10,17-18H,3-6,11-14,19-20H2,1-2H3
InChIKeyYTSFRDORHRDYDI-UHFFFAOYSA-N
XLogP1.95
TPSA88.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2S)-2-methoxyoctoxy]-4-(2-phenylethynyl)benzene
CID 102036494
1-bromo-4-(2,3-dimethoxypropoxy)benzene
CID 67740400
3-[4-(3-aminopropoxy)phenoxy]propan-1-amine
CID 3650737
(1S)-1-(4-ethoxyphenyl)butane-1,4-diamine;hydrochloride
CID 171220228
3-[4-(2,2-difluoroethoxy)phenyl]propan-1-amine
CID 84783908
8-(4-methoxyphenoxy)octan-1-amine
CID 90318886
4-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methoxypentane-1,4-diamine
CID 103389195
1-chloro-4-[2-methoxy-3-(4-propan-2-ylphenoxy)propyl]sulfanylbenzene
CID 155719019
2-[4-[(5-amino-1-methoxypentan-2-yl)amino]phenoxy]acetamide
CID 103388398
4-(2-methoxypropoxy)aniline
CID 70550871
3-(4-chlorophenoxy)propan-1-amine;hydrochloride
CID 53439626
3-(3-fluorophenoxy)-2-methoxypropan-1-amine
CID 105452028

Frequently Asked Questions

What is the IUPAC name of 5-[4-(5-amino-2-methoxypentoxy)phenoxy]-4-methoxypentan-1-amine?
The IUPAC name of 5-[4-(5-amino-2-methoxypentoxy)phenoxy]-4-methoxypentan-1-amine (CID 139812707) is 5-[4-(5-amino-2-methoxypentoxy)phenoxy]-4-methoxypentan-1-amine.
What is the SMILES notation for 5-[4-(5-amino-2-methoxypentoxy)phenoxy]-4-methoxypentan-1-amine?
The canonical SMILES for 5-[4-(5-amino-2-methoxypentoxy)phenoxy]-4-methoxypentan-1-amine is COC(CCCN)COc1ccc(OCC(CCCN)OC)cc1.
What is the InChIKey of 5-[4-(5-amino-2-methoxypentoxy)phenoxy]-4-methoxypentan-1-amine?
The InChIKey is YTSFRDORHRDYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O4/c1-21-17(5-3-11-19)13-23-15-7-9-16(10-8-15)24-14-18(22-2)6-4-12-20/h7-10,17-18H,3-6,11-14,19-20H2,1-2H3.
What are the key properties of 5-[4-(5-amino-2-methoxypentoxy)phenoxy]-4-methoxypentan-1-amine?
5-[4-(5-amino-2-methoxypentoxy)phenoxy]-4-methoxypentan-1-amine has a molecular weight of 340.46 g/mol, XLogP of 1.95, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(5-amino-2-methoxypentoxy)phenoxy]-4-methoxypentan-1-amine is sourced from PubChem (CID 139812707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).