2-methyl-2-(3-propan-2-ylphenoxy)-N-propylbutan-1-amine

C17H29NO — CID 63488670

IUPAC2-methyl-2-(3-propan-2-ylphenoxy)-N-propylbutan-1-amine
SMILESCCCNCC(C)(CC)Oc1cccc(C(C)C)c1
InChIInChI=1S/C17H29NO/c1-6-11-18-13-17(5,7-2)19-16-10-8-9-15(12-16)14(3)4/h8-10,12,14,18H,6-7,11,13H2,1-5H3
InChIKeyBDBSUASFIXPRHJ-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.36
Rot. Bonds8

About 2-methyl-2-(3-propan-2-ylphenoxy)-N-propylbutan-1-amine

2-methyl-2-(3-propan-2-ylphenoxy)-N-propylbutan-1-amine (PubChem CID 63488670) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-methyl-2-(3-propan-2-ylphenoxy)-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-methyl-2-(3-propan-2-ylphenoxy)-N-propylbutan-1-amine
PubChem CID63488670
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name2-methyl-2-(3-propan-2-ylphenoxy)-N-propylbutan-1-amine
SMILESCCCNCC(C)(CC)Oc1cccc(C(C)C)c1
InChIInChI=1S/C17H29NO/c1-6-11-18-13-17(5,7-2)19-16-10-8-9-15(12-16)14(3)4/h8-10,12,14,18H,6-7,11,13H2,1-5H3
InChIKeyBDBSUASFIXPRHJ-UHFFFAOYSA-N
XLogP4.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.36
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-methyl-2-phenoxy-N-propylbutan-1-amine
CID 62353829
N,2-dimethyl-2-(3-propan-2-ylphenoxy)propan-1-amine
CID 62352635
N-ethyl-2-methyl-2-(4-propan-2-ylphenoxy)butan-1-amine
CID 62353237
2-methyl-N-propyl-2-[4-(trifluoromethyl)phenoxy]butan-1-amine
CID 62354231
2-methyl-N-[2-(3-propan-2-ylphenoxy)propyl]butan-2-amine
CID 55195324
N-methyl-1-[3-(2-methylbutan-2-yloxy)phenyl]ethanamine
CID 79167385
2-methyl-4-(3-propan-2-ylphenoxy)-2-(propylamino)pentanenitrile
CID 64727995
2-methyl-N-propyl-2-quinolin-8-yloxybutan-1-amine
CID 62353249
2-(3-propan-2-ylphenoxy)-N-propylacetamide
CID 60624182
6-(3-propan-2-ylphenoxy)-N-propylpyrimidin-4-amine
CID 80863993
2-butoxy-N-[2-(3-propan-2-ylphenoxy)ethyl]ethanamine
CID 62572262
5-methyl-6-(3-propan-2-ylphenoxy)-N-propylpyrimidin-4-amine
CID 80866037

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(3-propan-2-ylphenoxy)-N-propylbutan-1-amine?
The IUPAC name of 2-methyl-2-(3-propan-2-ylphenoxy)-N-propylbutan-1-amine (CID 63488670) is 2-methyl-2-(3-propan-2-ylphenoxy)-N-propylbutan-1-amine.
What is the SMILES notation for 2-methyl-2-(3-propan-2-ylphenoxy)-N-propylbutan-1-amine?
The canonical SMILES for 2-methyl-2-(3-propan-2-ylphenoxy)-N-propylbutan-1-amine is CCCNCC(C)(CC)Oc1cccc(C(C)C)c1.
What is the InChIKey of 2-methyl-2-(3-propan-2-ylphenoxy)-N-propylbutan-1-amine?
The InChIKey is BDBSUASFIXPRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-6-11-18-13-17(5,7-2)19-16-10-8-9-15(12-16)14(3)4/h8-10,12,14,18H,6-7,11,13H2,1-5H3.
What are the key properties of 2-methyl-2-(3-propan-2-ylphenoxy)-N-propylbutan-1-amine?
2-methyl-2-(3-propan-2-ylphenoxy)-N-propylbutan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 4.36, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(3-propan-2-ylphenoxy)-N-propylbutan-1-amine is sourced from PubChem (CID 63488670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).