3-[2,4-bis(2,2-dimethylpropyl)phenoxy]propan-1-amine

C19H33NO — CID 14251086

IUPAC3-[2,4-bis(2,2-dimethylpropyl)phenoxy]propan-1-amine
SMILESCC(C)(C)Cc1ccc(OCCCN)c(CC(C)(C)C)c1
InChIInChI=1S/C19H33NO/c1-18(2,3)13-15-8-9-17(21-11-7-10-20)16(12-15)14-19(4,5)6/h8-9,12H,7,10-11,13-14,20H2,1-6H3
InChIKeyYTSCLCAEJUSPTI-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.59
Rot. Bonds6

About 3-[2,4-bis(2,2-dimethylpropyl)phenoxy]propan-1-amine

3-[2,4-bis(2,2-dimethylpropyl)phenoxy]propan-1-amine (PubChem CID 14251086) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 3-[2,4-bis(2,2-dimethylpropyl)phenoxy]propan-1-amine.

Molecular Properties

Compound Name3-[2,4-bis(2,2-dimethylpropyl)phenoxy]propan-1-amine
PubChem CID14251086
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name3-[2,4-bis(2,2-dimethylpropyl)phenoxy]propan-1-amine
SMILESCC(C)(C)Cc1ccc(OCCCN)c(CC(C)(C)C)c1
InChIInChI=1S/C19H33NO/c1-18(2,3)13-15-8-9-17(21-11-7-10-20)16(12-15)14-19(4,5)6/h8-9,12H,7,10-11,13-14,20H2,1-6H3
InChIKeyYTSCLCAEJUSPTI-UHFFFAOYSA-N
XLogP4.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2,2-dimethylpropyl)-2-fluorophenoxy]ethanamine
CID 156509242
2-(2-aminoethyl)-4-(2,2-dimethylpropyl)phenol
CID 117296802
3-(3,4-didecoxyphenyl)propan-1-amine
CID 170867431
ethyl 2-[2-[3-[2,4-bis(2,2-dimethylpropyl)phenoxy]propyl]-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl]acetate
CID 11555700
2-[4-butoxy-3-(trifluoromethyl)phenyl]ethanamine
CID 55205104
3-(4-methoxy-3-propylphenyl)propan-1-amine
CID 123256997
3-(4-ethoxy-2-prop-2-enylphenoxy)propan-1-amine
CID 62598605
2-[4-(3,3-dimethylbutoxy)-3-ethoxyphenyl]ethanamine
CID 61481236
2-(4-butoxy-3-ethoxyphenyl)ethanamine
CID 20982697
3-(2,4-dimethylphenoxy)propan-1-amine
CID 14025831
3-[[2-[2,4-bis(2,2-dimethylpropyl)phenoxy]acetyl]amino]benzoyl chloride
CID 51056111
4-(5-tert-butyl-2-ethoxyphenyl)butan-1-amine
CID 83935499

Frequently Asked Questions

What is the IUPAC name of 3-[2,4-bis(2,2-dimethylpropyl)phenoxy]propan-1-amine?
The IUPAC name of 3-[2,4-bis(2,2-dimethylpropyl)phenoxy]propan-1-amine (CID 14251086) is 3-[2,4-bis(2,2-dimethylpropyl)phenoxy]propan-1-amine.
What is the SMILES notation for 3-[2,4-bis(2,2-dimethylpropyl)phenoxy]propan-1-amine?
The canonical SMILES for 3-[2,4-bis(2,2-dimethylpropyl)phenoxy]propan-1-amine is CC(C)(C)Cc1ccc(OCCCN)c(CC(C)(C)C)c1.
What is the InChIKey of 3-[2,4-bis(2,2-dimethylpropyl)phenoxy]propan-1-amine?
The InChIKey is YTSCLCAEJUSPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-18(2,3)13-15-8-9-17(21-11-7-10-20)16(12-15)14-19(4,5)6/h8-9,12H,7,10-11,13-14,20H2,1-6H3.
What are the key properties of 3-[2,4-bis(2,2-dimethylpropyl)phenoxy]propan-1-amine?
3-[2,4-bis(2,2-dimethylpropyl)phenoxy]propan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,4-bis(2,2-dimethylpropyl)phenoxy]propan-1-amine is sourced from PubChem (CID 14251086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).