3-propan-2-yloxy-N-[1-(4-propan-2-ylphenyl)ethyl]propan-1-amine

C17H29NO — CID 43108754

IUPAC3-propan-2-yloxy-N-[1-(4-propan-2-ylphenyl)ethyl]propan-1-amine
SMILESCC(C)OCCCNC(C)c1ccc(C(C)C)cc1
InChIInChI=1S/C17H29NO/c1-13(2)16-7-9-17(10-8-16)15(5)18-11-6-12-19-14(3)4/h7-10,13-15,18H,6,11-12H2,1-5H3
InChIKeyGXLAVCUKIPGYGL-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.28
Rot. Bonds8

About 3-propan-2-yloxy-N-[1-(4-propan-2-ylphenyl)ethyl]propan-1-amine

3-propan-2-yloxy-N-[1-(4-propan-2-ylphenyl)ethyl]propan-1-amine (PubChem CID 43108754) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 3-propan-2-yloxy-N-[1-(4-propan-2-ylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-propan-2-yloxy-N-[1-(4-propan-2-ylphenyl)ethyl]propan-1-amine
PubChem CID43108754
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name3-propan-2-yloxy-N-[1-(4-propan-2-ylphenyl)ethyl]propan-1-amine
SMILESCC(C)OCCCNC(C)c1ccc(C(C)C)cc1
InChIInChI=1S/C17H29NO/c1-13(2)16-7-9-17(10-8-16)15(5)18-11-6-12-19-14(3)4/h7-10,13-15,18H,6,11-12H2,1-5H3
InChIKeyGXLAVCUKIPGYGL-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

N-[1-(3,4-dichlorophenyl)ethyl]-3-propan-2-yloxypropan-1-amine
CID 43105122
3-propan-2-yloxy-N-[1-(4-propylphenyl)ethyl]propan-1-amine
CID 43102654
N-[1-(4-methylsulfonylphenyl)ethyl]-3-propan-2-yloxypropan-1-amine
CID 43207436
3-propan-2-yloxy-N-(1-thiophen-3-ylethyl)propan-1-amine
CID 62089262
3-[1-(3-propan-2-yloxypropylamino)ethyl]phenol
CID 43207421
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-propan-2-yloxypropan-1-amine
CID 43771401
N-[1-(5-chlorothiophen-3-yl)ethyl]-4-propan-2-yloxybutan-1-amine
CID 102976967
3-propan-2-yloxy-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 115706255
3-propan-2-yloxy-N-(1-thieno[3,2-b]pyridin-6-ylethyl)propan-1-amine
CID 64830936
3,3-dimethyl-N-[1-(4-propan-2-ylphenyl)ethyl]butan-1-amine
CID 63438479
N-[cyclopropyl-(4-methylphenyl)methyl]-3-propan-2-yloxypropan-1-amine
CID 43771369
N-[2-(2-methylprop-2-enoxy)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 115894123

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yloxy-N-[1-(4-propan-2-ylphenyl)ethyl]propan-1-amine?
The IUPAC name of 3-propan-2-yloxy-N-[1-(4-propan-2-ylphenyl)ethyl]propan-1-amine (CID 43108754) is 3-propan-2-yloxy-N-[1-(4-propan-2-ylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for 3-propan-2-yloxy-N-[1-(4-propan-2-ylphenyl)ethyl]propan-1-amine?
The canonical SMILES for 3-propan-2-yloxy-N-[1-(4-propan-2-ylphenyl)ethyl]propan-1-amine is CC(C)OCCCNC(C)c1ccc(C(C)C)cc1.
What is the InChIKey of 3-propan-2-yloxy-N-[1-(4-propan-2-ylphenyl)ethyl]propan-1-amine?
The InChIKey is GXLAVCUKIPGYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-13(2)16-7-9-17(10-8-16)15(5)18-11-6-12-19-14(3)4/h7-10,13-15,18H,6,11-12H2,1-5H3.
What are the key properties of 3-propan-2-yloxy-N-[1-(4-propan-2-ylphenyl)ethyl]propan-1-amine?
3-propan-2-yloxy-N-[1-(4-propan-2-ylphenyl)ethyl]propan-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 3-propan-2-yloxy-N-[1-(4-propan-2-ylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 43108754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).