2-(2-methyl-5-propan-2-ylphenoxy)-N-propylpentan-3-amine

C18H31NO — CID 63500724

IUPAC2-(2-methyl-5-propan-2-ylphenoxy)-N-propylpentan-3-amine
SMILESCCCNC(CC)C(C)Oc1cc(C(C)C)ccc1C
InChIInChI=1S/C18H31NO/c1-7-11-19-17(8-2)15(6)20-18-12-16(13(3)4)10-9-14(18)5/h9-10,12-13,15,17,19H,7-8,11H2,1-6H3
InChIKeySCVIFUSJVPHSJP-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.66
Rot. Bonds8

About 2-(2-methyl-5-propan-2-ylphenoxy)-N-propylpentan-3-amine

2-(2-methyl-5-propan-2-ylphenoxy)-N-propylpentan-3-amine (PubChem CID 63500724) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 2-(2-methyl-5-propan-2-ylphenoxy)-N-propylpentan-3-amine.

Molecular Properties

Compound Name2-(2-methyl-5-propan-2-ylphenoxy)-N-propylpentan-3-amine
PubChem CID63500724
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name2-(2-methyl-5-propan-2-ylphenoxy)-N-propylpentan-3-amine
SMILESCCCNC(CC)C(C)Oc1cc(C(C)C)ccc1C
InChIInChI=1S/C18H31NO/c1-7-11-19-17(8-2)15(6)20-18-12-16(13(3)4)10-9-14(18)5/h9-10,12-13,15,17,19H,7-8,11H2,1-6H3
InChIKeySCVIFUSJVPHSJP-UHFFFAOYSA-N
XLogP4.66
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 ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methyl-5-propan-2-ylphenoxy)-N-propylpropan-1-amine
CID 62484519
2-butan-2-yloxy-1-methyl-4-propan-2-ylbenzene
CID 81005711
3-methyl-2-(2-methyl-5-propan-2-ylphenoxy)-N-propylbutan-1-amine
CID 63497031
2-(2,3-difluorophenoxy)-N-propylpentan-3-amine
CID 63038153
1-methyl-4-propan-2-yl-2-propoxybenzene
CID 78907679
2-methyl-N-[2-(2-methyl-5-propan-2-ylphenoxy)propyl]propan-2-amine
CID 63496668
2-(ethylamino)-2-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pentan-1-ol
CID 64811206
3-(2-methyl-5-propan-2-ylphenoxy)heptan-4-ol
CID 63465952
2-hexoxy-1-methyl-4-propan-2-ylbenzene
CID 81004927
2-(2-ethylbutoxy)-1-methyl-4-propan-2-ylbenzene
CID 82924112
3-(2-methyl-5-propan-2-ylphenoxy)-N-propylcyclobutan-1-amine
CID 66350890
2-(4-propan-2-yloxyphenyl)-N-propylpentan-3-amine
CID 79308290

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-5-propan-2-ylphenoxy)-N-propylpentan-3-amine?
The IUPAC name of 2-(2-methyl-5-propan-2-ylphenoxy)-N-propylpentan-3-amine (CID 63500724) is 2-(2-methyl-5-propan-2-ylphenoxy)-N-propylpentan-3-amine.
What is the SMILES notation for 2-(2-methyl-5-propan-2-ylphenoxy)-N-propylpentan-3-amine?
The canonical SMILES for 2-(2-methyl-5-propan-2-ylphenoxy)-N-propylpentan-3-amine is CCCNC(CC)C(C)Oc1cc(C(C)C)ccc1C.
What is the InChIKey of 2-(2-methyl-5-propan-2-ylphenoxy)-N-propylpentan-3-amine?
The InChIKey is SCVIFUSJVPHSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-7-11-19-17(8-2)15(6)20-18-12-16(13(3)4)10-9-14(18)5/h9-10,12-13,15,17,19H,7-8,11H2,1-6H3.
What are the key properties of 2-(2-methyl-5-propan-2-ylphenoxy)-N-propylpentan-3-amine?
2-(2-methyl-5-propan-2-ylphenoxy)-N-propylpentan-3-amine has a molecular weight of 277.45 g/mol, XLogP of 4.66, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-5-propan-2-ylphenoxy)-N-propylpentan-3-amine is sourced from PubChem (CID 63500724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).