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

C17H29NO — CID 63498370

IUPAC3-methyl-2-(4-propan-2-ylphenoxy)-N-propylbutan-1-amine
SMILESCCCNCC(Oc1ccc(C(C)C)cc1)C(C)C
InChIInChI=1S/C17H29NO/c1-6-11-18-12-17(14(4)5)19-16-9-7-15(8-10-16)13(2)3/h7-10,13-14,17-18H,6,11-12H2,1-5H3
InChIKeyIVYHSKXEXWARRS-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.21
Rot. Bonds8

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

3-methyl-2-(4-propan-2-ylphenoxy)-N-propylbutan-1-amine (PubChem CID 63498370) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 3-methyl-2-(4-propan-2-ylphenoxy)-N-propylbutan-1-amine.

Molecular Properties

Compound Name3-methyl-2-(4-propan-2-ylphenoxy)-N-propylbutan-1-amine
PubChem CID63498370
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name3-methyl-2-(4-propan-2-ylphenoxy)-N-propylbutan-1-amine
SMILESCCCNCC(Oc1ccc(C(C)C)cc1)C(C)C
InChIInChI=1S/C17H29NO/c1-6-11-18-12-17(14(4)5)19-16-9-7-15(8-10-16)13(2)3/h7-10,13-14,17-18H,6,11-12H2,1-5H3
InChIKeyIVYHSKXEXWARRS-UHFFFAOYSA-N
XLogP4.21
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 ≤ 54.21
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

3-methyl-2-phenoxy-N-propylbutan-1-amine
CID 62454475
2-(4-propan-2-ylphenoxy)-N-propylbutan-1-amine
CID 62453124
3-methyl-2-(2-methyl-5-propan-2-ylphenoxy)-N-propylbutan-1-amine
CID 63497031
2-[4-(2-methoxyethyl)phenoxy]-3-methyl-N-propylbutan-1-amine
CID 62485354
3-(4-propan-2-ylphenoxy)-N-propylbutan-1-amine
CID 114996289
3-methyl-N-propyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine
CID 63496310
2-(3-methoxyphenoxy)-3-methyl-N-propylbutan-1-amine
CID 62454884
2-(3-ethoxyphenoxy)-3-methyl-N-propylbutan-1-amine
CID 62442572
2-(3-tert-butylphenoxy)-3-methyl-N-propylbutan-1-amine
CID 63498609
2-(4-bromophenoxy)-N-ethyl-3-methylbutan-1-amine
CID 62453543
N',N'-diethyl-N-[2-(4-propan-2-ylphenoxy)propyl]ethane-1,2-diamine
CID 54803489
2-(2-methyl-5-propan-2-ylphenoxy)-N-propylpropan-1-amine
CID 62484519

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(4-propan-2-ylphenoxy)-N-propylbutan-1-amine?
The IUPAC name of 3-methyl-2-(4-propan-2-ylphenoxy)-N-propylbutan-1-amine (CID 63498370) is 3-methyl-2-(4-propan-2-ylphenoxy)-N-propylbutan-1-amine.
What is the SMILES notation for 3-methyl-2-(4-propan-2-ylphenoxy)-N-propylbutan-1-amine?
The canonical SMILES for 3-methyl-2-(4-propan-2-ylphenoxy)-N-propylbutan-1-amine is CCCNCC(Oc1ccc(C(C)C)cc1)C(C)C.
What is the InChIKey of 3-methyl-2-(4-propan-2-ylphenoxy)-N-propylbutan-1-amine?
The InChIKey is IVYHSKXEXWARRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-6-11-18-12-17(14(4)5)19-16-9-7-15(8-10-16)13(2)3/h7-10,13-14,17-18H,6,11-12H2,1-5H3.
What are the key properties of 3-methyl-2-(4-propan-2-ylphenoxy)-N-propylbutan-1-amine?
3-methyl-2-(4-propan-2-ylphenoxy)-N-propylbutan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(4-propan-2-ylphenoxy)-N-propylbutan-1-amine is sourced from PubChem (CID 63498370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).