N-[[4-(2-butan-2-yloxyethoxy)phenyl]methyl]propan-1-amine

C16H27NO2 — CID 62452923

IUPACN-[[4-(2-butan-2-yloxyethoxy)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(OCCOC(C)CC)cc1
InChIInChI=1S/C16H27NO2/c1-4-10-17-13-15-6-8-16(9-7-15)19-12-11-18-14(3)5-2/h6-9,14,17H,4-5,10-13H2,1-3H3
InChIKeyMNRRUVOSGXAOJG-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.38
Rot. Bonds10

About N-[[4-(2-butan-2-yloxyethoxy)phenyl]methyl]propan-1-amine

N-[[4-(2-butan-2-yloxyethoxy)phenyl]methyl]propan-1-amine (PubChem CID 62452923) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[[4-(2-butan-2-yloxyethoxy)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-(2-butan-2-yloxyethoxy)phenyl]methyl]propan-1-amine
PubChem CID62452923
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC NameN-[[4-(2-butan-2-yloxyethoxy)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(OCCOC(C)CC)cc1
InChIInChI=1S/C16H27NO2/c1-4-10-17-13-15-6-8-16(9-7-15)19-12-11-18-14(3)5-2/h6-9,14,17H,4-5,10-13H2,1-3H3
InChIKeyMNRRUVOSGXAOJG-UHFFFAOYSA-N
XLogP3.38
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(propylaminomethyl)phenoxy]ethanol
CID 17213252
4-[4-(propylaminomethyl)phenoxy]butanenitrile
CID 60878188
N,2-dimethyl-N-[2-[4-(propylaminomethyl)phenoxy]ethyl]butan-1-amine
CID 62420375
N-[[4-(3,3,3-trifluoropropoxy)phenyl]methyl]propan-1-amine
CID 64553735
N-[[4-(2,2-diethoxyethoxy)phenyl]methyl]propan-1-amine
CID 54572902
3-methyl-1-[4-(propylaminomethyl)phenoxy]butan-2-ol
CID 114249399
2-ethoxy-N-[(4-propoxyphenyl)methyl]propan-1-amine
CID 115655586
N-[(4-ethoxyphenyl)methyl]-2-propan-2-yloxyethanamine
CID 104588362
N-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]propan-1-amine
CID 62453982
3-[4-(propylaminomethyl)phenoxy]propanamide
CID 43276993
N-[[4-[2-(3-methylbut-3-enoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 114470830
N-[(4-hexoxyphenyl)methyl]hexan-1-amine
CID 54807832

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-butan-2-yloxyethoxy)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-(2-butan-2-yloxyethoxy)phenyl]methyl]propan-1-amine (CID 62452923) is N-[[4-(2-butan-2-yloxyethoxy)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-(2-butan-2-yloxyethoxy)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-(2-butan-2-yloxyethoxy)phenyl]methyl]propan-1-amine is CCCNCc1ccc(OCCOC(C)CC)cc1.
What is the InChIKey of N-[[4-(2-butan-2-yloxyethoxy)phenyl]methyl]propan-1-amine?
The InChIKey is MNRRUVOSGXAOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-4-10-17-13-15-6-8-16(9-7-15)19-12-11-18-14(3)5-2/h6-9,14,17H,4-5,10-13H2,1-3H3.
What are the key properties of N-[[4-(2-butan-2-yloxyethoxy)phenyl]methyl]propan-1-amine?
N-[[4-(2-butan-2-yloxyethoxy)phenyl]methyl]propan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 3.38, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-butan-2-yloxyethoxy)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 62452923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).