1-[3-(aminomethyl)phenoxy]-3-butoxypropan-2-ol

C14H23NO3 — CID 43531638

IUPAC1-[3-(aminomethyl)phenoxy]-3-butoxypropan-2-ol
SMILESCCCCOCC(O)COc1cccc(CN)c1
InChIInChI=1S/C14H23NO3/c1-2-3-7-17-10-13(16)11-18-14-6-4-5-12(8-14)9-15/h4-6,8,13,16H,2-3,7,9-11,15H2,1H3
InChIKeyBUZBAMPFEANOOX-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.70
Rot. Bonds9

About 1-[3-(aminomethyl)phenoxy]-3-butoxypropan-2-ol

1-[3-(aminomethyl)phenoxy]-3-butoxypropan-2-ol (PubChem CID 43531638) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-[3-(aminomethyl)phenoxy]-3-butoxypropan-2-ol.

Molecular Properties

Compound Name1-[3-(aminomethyl)phenoxy]-3-butoxypropan-2-ol
PubChem CID43531638
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name1-[3-(aminomethyl)phenoxy]-3-butoxypropan-2-ol
SMILESCCCCOCC(O)COc1cccc(CN)c1
InChIInChI=1S/C14H23NO3/c1-2-3-7-17-10-13(16)11-18-14-6-4-5-12(8-14)9-15/h4-6,8,13,16H,2-3,7,9-11,15H2,1H3
InChIKeyBUZBAMPFEANOOX-UHFFFAOYSA-N
XLogP1.70
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(aminomethyl)phenoxy]-3-heptoxypropan-2-ol
CID 43531590
1-[3-(aminomethyl)phenoxy]-3-(4-methylphenoxy)propan-2-ol
CID 43531526
(2R)-1-butoxy-3-phenoxypropan-2-ol
CID 36688222
1-butoxy-3-[3-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol
CID 107263420
1-(3-aminophenoxy)-3-pentoxypropan-2-ol
CID 55055260
1-[4-(aminomethyl)phenoxy]-3-(2-propoxyethoxy)propan-2-ol
CID 63685060
[3-[3-(2-propoxyethoxy)propoxy]phenyl]methanamine
CID 55231654
3-(2-hydroxy-3-tetradecoxypropoxy)phenol
CID 154641775
1-[4-(aminomethyl)-2-bromophenoxy]-3-butoxypropan-2-ol
CID 107262319
1-[3-(aminomethyl)phenoxy]-3-[butyl(2-hydroxyethyl)amino]propan-2-ol
CID 61444597
[3-(3-hexoxypropoxy)phenyl]methanamine
CID 43254403
1-[4-(aminomethyl)phenoxy]-3-(2-ethoxyethoxy)propan-2-ol
CID 43531533

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)phenoxy]-3-butoxypropan-2-ol?
The IUPAC name of 1-[3-(aminomethyl)phenoxy]-3-butoxypropan-2-ol (CID 43531638) is 1-[3-(aminomethyl)phenoxy]-3-butoxypropan-2-ol.
What is the SMILES notation for 1-[3-(aminomethyl)phenoxy]-3-butoxypropan-2-ol?
The canonical SMILES for 1-[3-(aminomethyl)phenoxy]-3-butoxypropan-2-ol is CCCCOCC(O)COc1cccc(CN)c1.
What is the InChIKey of 1-[3-(aminomethyl)phenoxy]-3-butoxypropan-2-ol?
The InChIKey is BUZBAMPFEANOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-2-3-7-17-10-13(16)11-18-14-6-4-5-12(8-14)9-15/h4-6,8,13,16H,2-3,7,9-11,15H2,1H3.
What are the key properties of 1-[3-(aminomethyl)phenoxy]-3-butoxypropan-2-ol?
1-[3-(aminomethyl)phenoxy]-3-butoxypropan-2-ol has a molecular weight of 253.34 g/mol, XLogP of 1.70, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)phenoxy]-3-butoxypropan-2-ol is sourced from PubChem (CID 43531638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).