3-methyl-1-[4-(propylaminomethyl)phenoxy]butan-2-ol

C15H25NO2 — CID 114249399

IUPAC3-methyl-1-[4-(propylaminomethyl)phenoxy]butan-2-ol
SMILESCCCNCc1ccc(OCC(O)C(C)C)cc1
InChIInChI=1S/C15H25NO2/c1-4-9-16-10-13-5-7-14(8-6-13)18-11-15(17)12(2)3/h5-8,12,15-17H,4,9-11H2,1-3H3
InChIKeyDXVREDTVIKVWLC-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.58
Rot. Bonds8

About 3-methyl-1-[4-(propylaminomethyl)phenoxy]butan-2-ol

3-methyl-1-[4-(propylaminomethyl)phenoxy]butan-2-ol (PubChem CID 114249399) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-methyl-1-[4-(propylaminomethyl)phenoxy]butan-2-ol.

Molecular Properties

Compound Name3-methyl-1-[4-(propylaminomethyl)phenoxy]butan-2-ol
PubChem CID114249399
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name3-methyl-1-[4-(propylaminomethyl)phenoxy]butan-2-ol
SMILESCCCNCc1ccc(OCC(O)C(C)C)cc1
InChIInChI=1S/C15H25NO2/c1-4-9-16-10-13-5-7-14(8-6-13)18-11-15(17)12(2)3/h5-8,12,15-17H,4,9-11H2,1-3H3
InChIKeyDXVREDTVIKVWLC-UHFFFAOYSA-N
XLogP2.58
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-[4-(propylaminomethyl)phenoxy]propanamide
CID 43311872
N-[[4-(2,2-diethoxyethoxy)phenyl]methyl]propan-1-amine
CID 54572902
1-[(4-butoxyphenyl)methylamino]-3-methylbutan-2-ol
CID 115630592
2-[4-(propylaminomethyl)phenoxy]ethanol
CID 17213252
2,3-dimethyl-1-[4-(propylaminomethyl)phenoxy]butan-2-ol
CID 114491573
N-[[4-(2-butan-2-yloxyethoxy)phenyl]methyl]propan-1-amine
CID 62452923
N-[[4-[(4-methylphenoxy)methyl]phenyl]methyl]propan-1-amine
CID 62450171
4-[4-(propylaminomethyl)phenoxy]butanenitrile
CID 60878188
N-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]propan-1-amine
CID 62453982
3-[4-(propylaminomethyl)phenoxy]propanamide
CID 43276993
N',N'-diethyl-N-[[4-(2-methylpropoxy)phenyl]methyl]ethane-1,2-diamine
CID 54803547
N-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]propan-1-amine
CID 23397058

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[4-(propylaminomethyl)phenoxy]butan-2-ol?
The IUPAC name of 3-methyl-1-[4-(propylaminomethyl)phenoxy]butan-2-ol (CID 114249399) is 3-methyl-1-[4-(propylaminomethyl)phenoxy]butan-2-ol.
What is the SMILES notation for 3-methyl-1-[4-(propylaminomethyl)phenoxy]butan-2-ol?
The canonical SMILES for 3-methyl-1-[4-(propylaminomethyl)phenoxy]butan-2-ol is CCCNCc1ccc(OCC(O)C(C)C)cc1.
What is the InChIKey of 3-methyl-1-[4-(propylaminomethyl)phenoxy]butan-2-ol?
The InChIKey is DXVREDTVIKVWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-4-9-16-10-13-5-7-14(8-6-13)18-11-15(17)12(2)3/h5-8,12,15-17H,4,9-11H2,1-3H3.
What are the key properties of 3-methyl-1-[4-(propylaminomethyl)phenoxy]butan-2-ol?
3-methyl-1-[4-(propylaminomethyl)phenoxy]butan-2-ol has a molecular weight of 251.37 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[4-(propylaminomethyl)phenoxy]butan-2-ol is sourced from PubChem (CID 114249399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).