2-ethyl-N-(2-methylpropyl)-5-phenoxypentan-1-amine

C17H29NO — CID 62936468

IUPAC2-ethyl-N-(2-methylpropyl)-5-phenoxypentan-1-amine
SMILESCCC(CCCOc1ccccc1)CNCC(C)C
InChIInChI=1S/C17H29NO/c1-4-16(14-18-13-15(2)3)9-8-12-19-17-10-6-5-7-11-17/h5-7,10-11,15-16,18H,4,8-9,12-14H2,1-3H3
InChIKeyQNXOTISIFKOAGS-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.12
Rot. Bonds10

About 2-ethyl-N-(2-methylpropyl)-5-phenoxypentan-1-amine

2-ethyl-N-(2-methylpropyl)-5-phenoxypentan-1-amine (PubChem CID 62936468) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-ethyl-N-(2-methylpropyl)-5-phenoxypentan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-(2-methylpropyl)-5-phenoxypentan-1-amine
PubChem CID62936468
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name2-ethyl-N-(2-methylpropyl)-5-phenoxypentan-1-amine
SMILESCCC(CCCOc1ccccc1)CNCC(C)C
InChIInChI=1S/C17H29NO/c1-4-16(14-18-13-15(2)3)9-8-12-19-17-10-6-5-7-11-17/h5-7,10-11,15-16,18H,4,8-9,12-14H2,1-3H3
InChIKeyQNXOTISIFKOAGS-UHFFFAOYSA-N
XLogP4.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.12
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

2-ethyl-N-(2-methoxyethyl)-5-phenoxypentan-1-amine
CID 62936301
N'-(2-methylpropyl)-N-(3-phenoxypropyl)ethane-1,2-diamine
CID 113405493
2,2-diethyl-N-(2-methylpropyl)-4-phenoxybutan-1-amine
CID 63508115
N-ethyl-4-methyl-2-(2-phenoxyethyl)pentan-1-amine
CID 62529307
N-methyl-5-phenoxy-2-propylpentan-1-amine
CID 55156688
2-methyl-N-[3-(2-phenoxyethoxy)propyl]propan-1-amine
CID 62456357
[4-(chloromethyl)-6-methylheptoxy]benzene
CID 66033410
2-ethyl-2-methyl-N-(2-methylpropyl)-4-phenoxybutan-1-amine
CID 55107238
1-(4-methylpentoxy)-4-phenoxybenzene
CID 118535405
4-methyl-7-phenoxyheptan-3-ol
CID 63562397
N-ethyl-6-methyl-1-phenoxyheptan-4-amine
CID 78918808
10-methyldodecoxybenzene
CID 143389992

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2-methylpropyl)-5-phenoxypentan-1-amine?
The IUPAC name of 2-ethyl-N-(2-methylpropyl)-5-phenoxypentan-1-amine (CID 62936468) is 2-ethyl-N-(2-methylpropyl)-5-phenoxypentan-1-amine.
What is the SMILES notation for 2-ethyl-N-(2-methylpropyl)-5-phenoxypentan-1-amine?
The canonical SMILES for 2-ethyl-N-(2-methylpropyl)-5-phenoxypentan-1-amine is CCC(CCCOc1ccccc1)CNCC(C)C.
What is the InChIKey of 2-ethyl-N-(2-methylpropyl)-5-phenoxypentan-1-amine?
The InChIKey is QNXOTISIFKOAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-4-16(14-18-13-15(2)3)9-8-12-19-17-10-6-5-7-11-17/h5-7,10-11,15-16,18H,4,8-9,12-14H2,1-3H3.
What are the key properties of 2-ethyl-N-(2-methylpropyl)-5-phenoxypentan-1-amine?
2-ethyl-N-(2-methylpropyl)-5-phenoxypentan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 4.12, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2-methylpropyl)-5-phenoxypentan-1-amine is sourced from PubChem (CID 62936468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).