1-(3-methyl-4-propan-2-ylphenoxy)-N-propylbutan-2-amine

C17H29NO — CID 63475949

IUPAC1-(3-methyl-4-propan-2-ylphenoxy)-N-propylbutan-2-amine
SMILESCCCNC(CC)COc1ccc(C(C)C)c(C)c1
InChIInChI=1S/C17H29NO/c1-6-10-18-15(7-2)12-19-16-8-9-17(13(3)4)14(5)11-16/h8-9,11,13,15,18H,6-7,10,12H2,1-5H3
InChIKeySCWJGMOUYZFHLM-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.28
Rot. Bonds8

About 1-(3-methyl-4-propan-2-ylphenoxy)-N-propylbutan-2-amine

1-(3-methyl-4-propan-2-ylphenoxy)-N-propylbutan-2-amine (PubChem CID 63475949) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-(3-methyl-4-propan-2-ylphenoxy)-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(3-methyl-4-propan-2-ylphenoxy)-N-propylbutan-2-amine
PubChem CID63475949
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name1-(3-methyl-4-propan-2-ylphenoxy)-N-propylbutan-2-amine
SMILESCCCNC(CC)COc1ccc(C(C)C)c(C)c1
InChIInChI=1S/C17H29NO/c1-6-10-18-15(7-2)12-19-16-8-9-17(13(3)4)14(5)11-16/h8-9,11,13,15,18H,6-7,10,12H2,1-5H3
InChIKeySCWJGMOUYZFHLM-UHFFFAOYSA-N
XLogP4.28
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 ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-3-methylphenoxy)-N-propylbutan-2-amine
CID 62040001
1-(3-methylphenoxy)-N-propylbutan-2-amine
CID 62038069
(2S)-N-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]butan-2-amine
CID 2182357
5-(3-methyl-4-propan-2-ylphenoxy)-N-propylpentan-1-amine
CID 63498576
1-(2,6-dimethylphenoxy)-N-propylbutan-2-amine
CID 62040818
1-(3,5-difluorophenoxy)-N-propylbutan-2-amine
CID 62785968
4-(3-methyl-4-propan-2-ylphenoxy)-N-propan-2-ylbutan-1-amine
CID 55077310
3-methyl-N-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]butan-2-amine
CID 60690385
1-(diethylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
CID 4597513
2-methyl-3-(3-methyl-4-propan-2-ylphenoxy)propanenitrile
CID 43367430
1-(dimethylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
CID 3719845
1-(methylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
CID 43188013

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-4-propan-2-ylphenoxy)-N-propylbutan-2-amine?
The IUPAC name of 1-(3-methyl-4-propan-2-ylphenoxy)-N-propylbutan-2-amine (CID 63475949) is 1-(3-methyl-4-propan-2-ylphenoxy)-N-propylbutan-2-amine.
What is the SMILES notation for 1-(3-methyl-4-propan-2-ylphenoxy)-N-propylbutan-2-amine?
The canonical SMILES for 1-(3-methyl-4-propan-2-ylphenoxy)-N-propylbutan-2-amine is CCCNC(CC)COc1ccc(C(C)C)c(C)c1.
What is the InChIKey of 1-(3-methyl-4-propan-2-ylphenoxy)-N-propylbutan-2-amine?
The InChIKey is SCWJGMOUYZFHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-6-10-18-15(7-2)12-19-16-8-9-17(13(3)4)14(5)11-16/h8-9,11,13,15,18H,6-7,10,12H2,1-5H3.
What are the key properties of 1-(3-methyl-4-propan-2-ylphenoxy)-N-propylbutan-2-amine?
1-(3-methyl-4-propan-2-ylphenoxy)-N-propylbutan-2-amine has a molecular weight of 263.43 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-4-propan-2-ylphenoxy)-N-propylbutan-2-amine is sourced from PubChem (CID 63475949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).