3-amino-1-[3-(2-propylpentoxy)phenyl]propan-1-ol

C17H29NO2 — CID 25255597

IUPAC3-amino-1-[3-(2-propylpentoxy)phenyl]propan-1-ol
SMILESCCCC(CCC)COc1cccc(C(O)CCN)c1
InChIInChI=1S/C17H29NO2/c1-3-6-14(7-4-2)13-20-16-9-5-8-15(12-16)17(19)10-11-18/h5,8-9,12,14,17,19H,3-4,6-7,10-11,13,18H2,1-2H3
InChIKeyLNRJYZXFMPBCCV-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.66
Rot. Bonds10

About 3-amino-1-[3-(2-propylpentoxy)phenyl]propan-1-ol

3-amino-1-[3-(2-propylpentoxy)phenyl]propan-1-ol (PubChem CID 25255597) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 3-amino-1-[3-(2-propylpentoxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-amino-1-[3-(2-propylpentoxy)phenyl]propan-1-ol
PubChem CID25255597
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name3-amino-1-[3-(2-propylpentoxy)phenyl]propan-1-ol
SMILESCCCC(CCC)COc1cccc(C(O)CCN)c1
InChIInChI=1S/C17H29NO2/c1-3-6-14(7-4-2)13-20-16-9-5-8-15(12-16)17(19)10-11-18/h5,8-9,12,14,17,19H,3-4,6-7,10-11,13,18H2,1-2H3
InChIKeyLNRJYZXFMPBCCV-UHFFFAOYSA-N
XLogP3.66
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[3-(2-propylpentoxy)phenyl]propan-1-ol?
The IUPAC name of 3-amino-1-[3-(2-propylpentoxy)phenyl]propan-1-ol (CID 25255597) is 3-amino-1-[3-(2-propylpentoxy)phenyl]propan-1-ol.
What is the SMILES notation for 3-amino-1-[3-(2-propylpentoxy)phenyl]propan-1-ol?
The canonical SMILES for 3-amino-1-[3-(2-propylpentoxy)phenyl]propan-1-ol is CCCC(CCC)COc1cccc(C(O)CCN)c1.
What is the InChIKey of 3-amino-1-[3-(2-propylpentoxy)phenyl]propan-1-ol?
The InChIKey is LNRJYZXFMPBCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-3-6-14(7-4-2)13-20-16-9-5-8-15(12-16)17(19)10-11-18/h5,8-9,12,14,17,19H,3-4,6-7,10-11,13,18H2,1-2H3.
What are the key properties of 3-amino-1-[3-(2-propylpentoxy)phenyl]propan-1-ol?
3-amino-1-[3-(2-propylpentoxy)phenyl]propan-1-ol has a molecular weight of 279.42 g/mol, XLogP of 3.66, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[3-(2-propylpentoxy)phenyl]propan-1-ol is sourced from PubChem (CID 25255597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).