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

C17H29NO — CID 55077310

IUPAC4-(3-methyl-4-propan-2-ylphenoxy)-N-propan-2-ylbutan-1-amine
SMILESCc1cc(OCCCCNC(C)C)ccc1C(C)C
InChIInChI=1S/C17H29NO/c1-13(2)17-9-8-16(12-15(17)5)19-11-7-6-10-18-14(3)4/h8-9,12-14,18H,6-7,10-11H2,1-5H3
InChIKeyDFDKAPHZZCGTMZ-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.28
Rot. Bonds8

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

4-(3-methyl-4-propan-2-ylphenoxy)-N-propan-2-ylbutan-1-amine (PubChem CID 55077310) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 4-(3-methyl-4-propan-2-ylphenoxy)-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name4-(3-methyl-4-propan-2-ylphenoxy)-N-propan-2-ylbutan-1-amine
PubChem CID55077310
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name4-(3-methyl-4-propan-2-ylphenoxy)-N-propan-2-ylbutan-1-amine
SMILESCc1cc(OCCCCNC(C)C)ccc1C(C)C
InChIInChI=1S/C17H29NO/c1-13(2)17-9-8-16(12-15(17)5)19-11-7-6-10-18-14(3)4/h8-9,12-14,18H,6-7,10-11H2,1-5H3
InChIKeyDFDKAPHZZCGTMZ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(3-methyl-4-propan-2-ylphenoxy)-N-propylpentan-1-amine
CID 63498576
N-tert-butyl-5-(3-methyl-4-propan-2-ylphenoxy)pentan-1-amine
CID 63498749
3-methyl-N-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]butan-2-amine
CID 60690385
3-(3-methyl-4-propan-2-ylphenoxy)propan-1-ol
CID 43509991
2-methyl-N-[3-(3-methyl-4-propan-2-ylphenoxy)propyl]propan-2-amine
CID 2299544
(2S)-N-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]butan-2-amine
CID 2182357
N-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]hexan-1-amine
CID 60661709
4-(3,4-dichlorophenoxy)-N-propan-2-ylbutan-1-amine
CID 2298232
5-(3,4-dichlorophenoxy)-N-propan-2-ylpentan-1-amine
CID 62485763
3-(3-ethoxyphenoxy)-N-propan-2-ylpropan-1-amine
CID 2296967
4-(2,3-dihydro-1H-inden-5-yloxy)-N-propan-2-ylbutan-1-amine
CID 62460874
butyl-[3-(3-methyl-4-propan-2-ylphenoxy)propyl]azanium
CID 2581324

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-4-propan-2-ylphenoxy)-N-propan-2-ylbutan-1-amine?
The IUPAC name of 4-(3-methyl-4-propan-2-ylphenoxy)-N-propan-2-ylbutan-1-amine (CID 55077310) is 4-(3-methyl-4-propan-2-ylphenoxy)-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 4-(3-methyl-4-propan-2-ylphenoxy)-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 4-(3-methyl-4-propan-2-ylphenoxy)-N-propan-2-ylbutan-1-amine is Cc1cc(OCCCCNC(C)C)ccc1C(C)C.
What is the InChIKey of 4-(3-methyl-4-propan-2-ylphenoxy)-N-propan-2-ylbutan-1-amine?
The InChIKey is DFDKAPHZZCGTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-13(2)17-9-8-16(12-15(17)5)19-11-7-6-10-18-14(3)4/h8-9,12-14,18H,6-7,10-11H2,1-5H3.
What are the key properties of 4-(3-methyl-4-propan-2-ylphenoxy)-N-propan-2-ylbutan-1-amine?
4-(3-methyl-4-propan-2-ylphenoxy)-N-propan-2-ylbutan-1-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 4-(3-methyl-4-propan-2-ylphenoxy)-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 55077310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).