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

C18H31NO3 — CID 170002029

IUPAC3-amino-1-[3-(2-methoxy-2-propylpentoxy)phenyl]propan-1-ol
SMILESCCCC(CCC)(COc1cccc(C(O)CCN)c1)OC
InChIInChI=1S/C18H31NO3/c1-4-10-18(21-3,11-5-2)14-22-16-8-6-7-15(13-16)17(20)9-12-19/h6-8,13,17,20H,4-5,9-12,14,19H2,1-3H3
InChIKeyCDFNTNVPQMAJHB-UHFFFAOYSA-N
MW309.45 g/mol
LogP3.43
Rot. Bonds11

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

3-amino-1-[3-(2-methoxy-2-propylpentoxy)phenyl]propan-1-ol (PubChem CID 170002029) has the molecular formula C18H31NO3 and a molecular weight of 309.45 g/mol. Its IUPAC name is 3-amino-1-[3-(2-methoxy-2-propylpentoxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-amino-1-[3-(2-methoxy-2-propylpentoxy)phenyl]propan-1-ol
PubChem CID170002029
Molecular FormulaC18H31NO3
Molecular Weight309.45 g/mol
Exact Mass309.23
IUPAC Name3-amino-1-[3-(2-methoxy-2-propylpentoxy)phenyl]propan-1-ol
SMILESCCCC(CCC)(COc1cccc(C(O)CCN)c1)OC
InChIInChI=1S/C18H31NO3/c1-4-10-18(21-3,11-5-2)14-22-16-8-6-7-15(13-16)17(20)9-12-19/h6-8,13,17,20H,4-5,9-12,14,19H2,1-3H3
InChIKeyCDFNTNVPQMAJHB-UHFFFAOYSA-N
XLogP3.43
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-(3-ethoxyphenyl)propan-1-ol
CID 79135598
4-[[3-(1-hydroxybutyl)phenoxy]methyl]heptan-4-ol
CID 69097318
3-amino-1-(3-octoxyphenyl)propan-1-ol
CID 130373075
3-[[3-[(1R)-1-hydroxybutyl]phenoxy]methyl]pentan-3-ol
CID 69097533
1-(3-ethoxyphenyl)-4-methoxy-4-methylpentan-1-ol
CID 103035096
1-(3-ethoxyphenyl)pentan-1-ol
CID 22486926
4-[3-(3-amino-1-hydroxypropyl)phenoxy]butanal;methanamine
CID 143786000
N-[3-hydroxy-3-[3-(2-methyl-2-propylpentoxy)phenyl]propyl]-N-methylacetamide
CID 71018431
(1R)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol;ethane
CID 143785909
3-amino-1-[3-[(2-chloro-6-ethylphenyl)methoxy]phenyl]propan-1-ol
CID 130373215
1-(3-methoxyphenyl)butan-1-ol
CID 2793894
3-amino-1-[3-[(1-oxothian-4-yl)methoxy]phenyl]propan-1-ol
CID 90405447

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[3-(2-methoxy-2-propylpentoxy)phenyl]propan-1-ol?
The IUPAC name of 3-amino-1-[3-(2-methoxy-2-propylpentoxy)phenyl]propan-1-ol (CID 170002029) is 3-amino-1-[3-(2-methoxy-2-propylpentoxy)phenyl]propan-1-ol.
What is the SMILES notation for 3-amino-1-[3-(2-methoxy-2-propylpentoxy)phenyl]propan-1-ol?
The canonical SMILES for 3-amino-1-[3-(2-methoxy-2-propylpentoxy)phenyl]propan-1-ol is CCCC(CCC)(COc1cccc(C(O)CCN)c1)OC.
What is the InChIKey of 3-amino-1-[3-(2-methoxy-2-propylpentoxy)phenyl]propan-1-ol?
The InChIKey is CDFNTNVPQMAJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO3/c1-4-10-18(21-3,11-5-2)14-22-16-8-6-7-15(13-16)17(20)9-12-19/h6-8,13,17,20H,4-5,9-12,14,19H2,1-3H3.
What are the key properties of 3-amino-1-[3-(2-methoxy-2-propylpentoxy)phenyl]propan-1-ol?
3-amino-1-[3-(2-methoxy-2-propylpentoxy)phenyl]propan-1-ol has a molecular weight of 309.45 g/mol, XLogP of 3.43, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[3-(2-methoxy-2-propylpentoxy)phenyl]propan-1-ol is sourced from PubChem (CID 170002029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).