2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-methylpropyl)butan-1-amine

C18H31NO — CID 63496259

IUPAC2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-methylpropyl)butan-1-amine
SMILESCCC(CNCC(C)C)Oc1cc(C)ccc1C(C)C
InChIInChI=1S/C18H31NO/c1-7-16(12-19-11-13(2)3)20-18-10-15(6)8-9-17(18)14(4)5/h8-10,13-14,16,19H,7,11-12H2,1-6H3
InChIKeyUANRRPHWQILXHU-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.52
Rot. Bonds8

About 2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-methylpropyl)butan-1-amine

2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-methylpropyl)butan-1-amine (PubChem CID 63496259) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-methylpropyl)butan-1-amine
PubChem CID63496259
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-methylpropyl)butan-1-amine
SMILESCCC(CNCC(C)C)Oc1cc(C)ccc1C(C)C
InChIInChI=1S/C18H31NO/c1-7-16(12-19-11-13(2)3)20-18-10-15(6)8-9-17(18)14(4)5/h8-10,13-14,16,19H,7,11-12H2,1-6H3
InChIKeyUANRRPHWQILXHU-UHFFFAOYSA-N
XLogP4.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-2-methylphenoxy)-N-(2-methylpropyl)butan-1-amine
CID 63498764
2,2-dimethyl-3-(5-methyl-2-propan-2-ylphenoxy)-N-(2-methylpropyl)propan-1-amine
CID 79619901
N-(2-methoxyethyl)-2-(5-methyl-2-propan-2-ylphenoxy)propan-1-amine
CID 55088268
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62571036
2-(2-bromo-4-methoxyphenoxy)-N-(2-methylpropyl)butan-1-amine
CID 104708465
2-(3-ethoxyphenoxy)-N-(2-methylpropyl)butan-1-amine
CID 62441022
2-(2-methoxy-4-methylphenoxy)-N-propan-2-ylbutan-1-amine
CID 62452119
N-[1-(4-methylphenyl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 17328405
2-(5-methyl-2-propan-2-ylphenoxy)pentan-3-one
CID 64866513
N-(2-methylpropyl)-2-(2-methylquinolin-8-yl)oxybutan-1-amine
CID 62486243
3-(5-methyl-2-propan-2-ylphenoxy)butan-1-amine
CID 57266754
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-methylpropyl)acetamide
CID 18823962

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-methylpropyl)butan-1-amine (CID 63496259) is 2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-methylpropyl)butan-1-amine is CCC(CNCC(C)C)Oc1cc(C)ccc1C(C)C.
What is the InChIKey of 2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-methylpropyl)butan-1-amine?
The InChIKey is UANRRPHWQILXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-7-16(12-19-11-13(2)3)20-18-10-15(6)8-9-17(18)14(4)5/h8-10,13-14,16,19H,7,11-12H2,1-6H3.
What are the key properties of 2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-methylpropyl)butan-1-amine?
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-methylpropyl)butan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 63496259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).