5-[4-(2-methylbutan-2-yl)phenoxy]-N-propan-2-ylpentan-1-amine

C19H33NO — CID 63498583

IUPAC5-[4-(2-methylbutan-2-yl)phenoxy]-N-propan-2-ylpentan-1-amine
SMILESCCC(C)(C)c1ccc(OCCCCCNC(C)C)cc1
InChIInChI=1S/C19H33NO/c1-6-19(4,5)17-10-12-18(13-11-17)21-15-9-7-8-14-20-16(2)3/h10-13,16,20H,6-9,14-15H2,1-5H3
InChIKeyAJJWXZGHZMSFPA-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.92
Rot. Bonds10

About 5-[4-(2-methylbutan-2-yl)phenoxy]-N-propan-2-ylpentan-1-amine

5-[4-(2-methylbutan-2-yl)phenoxy]-N-propan-2-ylpentan-1-amine (PubChem CID 63498583) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 5-[4-(2-methylbutan-2-yl)phenoxy]-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name5-[4-(2-methylbutan-2-yl)phenoxy]-N-propan-2-ylpentan-1-amine
PubChem CID63498583
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name5-[4-(2-methylbutan-2-yl)phenoxy]-N-propan-2-ylpentan-1-amine
SMILESCCC(C)(C)c1ccc(OCCCCCNC(C)C)cc1
InChIInChI=1S/C19H33NO/c1-6-19(4,5)17-10-12-18(13-11-17)21-15-9-7-8-14-20-16(2)3/h10-13,16,20H,6-9,14-15H2,1-5H3
InChIKeyAJJWXZGHZMSFPA-UHFFFAOYSA-N
XLogP4.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.92
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

1-(6-bromohexoxy)-4-(2-methylbutan-2-yl)benzene
CID 154085988
N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]heptan-1-amine
CID 54797456
4-[4-(2-methylbutan-2-yl)phenoxy]-N-propylbutan-2-amine
CID 63476133
5-[4-(2-methylbutan-2-yl)phenoxy]pentanenitrile
CID 60673565
3-[4-(2-methylbutan-2-yl)phenoxy]-N-propylpropan-1-amine
CID 29015611
N,N-dimethyl-4-[4-(2-methylbutan-2-yl)phenoxy]butan-1-amine
CID 2182203
dimethyl-[4-[4-(2-methylbutan-2-yl)phenoxy]butyl]azanium
CID 2182202
N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]-4-(2-methylpropoxy)aniline
CID 54799086
4-(4-chloro-3-ethylphenoxy)-N-propan-2-ylbutan-1-amine
CID 62485010
N-[2-[4-(trifluoromethyl)phenoxy]ethyl]propan-2-amine
CID 29080754
5-(3,4-dichlorophenoxy)-N-propan-2-ylpentan-1-amine
CID 62485763
1-[4-(2-methylbutan-2-yl)phenoxy]propan-2-amine
CID 16786972

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-methylbutan-2-yl)phenoxy]-N-propan-2-ylpentan-1-amine?
The IUPAC name of 5-[4-(2-methylbutan-2-yl)phenoxy]-N-propan-2-ylpentan-1-amine (CID 63498583) is 5-[4-(2-methylbutan-2-yl)phenoxy]-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 5-[4-(2-methylbutan-2-yl)phenoxy]-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 5-[4-(2-methylbutan-2-yl)phenoxy]-N-propan-2-ylpentan-1-amine is CCC(C)(C)c1ccc(OCCCCCNC(C)C)cc1.
What is the InChIKey of 5-[4-(2-methylbutan-2-yl)phenoxy]-N-propan-2-ylpentan-1-amine?
The InChIKey is AJJWXZGHZMSFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-6-19(4,5)17-10-12-18(13-11-17)21-15-9-7-8-14-20-16(2)3/h10-13,16,20H,6-9,14-15H2,1-5H3.
What are the key properties of 5-[4-(2-methylbutan-2-yl)phenoxy]-N-propan-2-ylpentan-1-amine?
5-[4-(2-methylbutan-2-yl)phenoxy]-N-propan-2-ylpentan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 4.92, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-methylbutan-2-yl)phenoxy]-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 63498583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).